S. Záliš

发表

Electronic and molecular structure of 2,2'-bipyrimidine-bridged bis (organoplatinum) complexes in various oxidation states. Radical-bridged diplatinum species and the absence of a Pt(III)/Pt(II) mixed-valent intermediate

W. Kaim, A. Klein, J. Fiedler, 1997 .

The spectroscopic, electrochemical and photophysical effects of the b1/a2π* lowest unoccupied molecular orbital switching in [M(CO)4(N,N)] (M = Cr or W; N,N = 1,10-phenanthroline or 3,4,7,8-tetramethyl-1,10-phenanthroline). An experimental and DFT computational study

F. Hartl, S. Záliš, Ian R. Farrell, 2000 .

Electron transfer across multiple hydrogen bonds: the case of ureapyrimidinedione-substituted vinyl ruthenium and osmium complexes.

R. Winter, S. Záliš, M. Zabel, 2009, Journal of the American Chemical Society.

Ruthenium stilbenyl and diruthenium distyrylethene complexes: aspects of electron delocalization and electrocatalyzed isomerization of the Z-isomer.

R. Winter, S. Záliš, M. Zabel, 2012, Journal of the American Chemical Society.

Theoretical Predictions of Redox Potentials of Fischer-Type Chromium Aminocarbene Complexes

J. Ludvík, S. Záliš, I. Hoskovcová, 2014 .

Diffusion-limited processes on fractal surfaces generated as a set of scaled Walsh functions

S. Záliš, L. Pospíšil, N. Fanelli, 1993 .

The metal-NO interaction in the redox systems [Cl5Os(NO)]n-, n = 1-3, and cis-[(bpy)2ClOs(NO)]2+/+: calculations, structural, electrochemical, and spectroscopic results.

W. Kaim, Priti Singh, J. Fiedler, 2006, Inorganic chemistry.

Establishing the NO oxidation state in complexes [Cl(5)(NO)M](n-), M = Ru or Ir, through experiments and DFT calculations.

W. Kaim, J. Fiedler, B. Sarkar, 2004, Dalton transactions.

Improvement of (bipy)Pt(XR)2 (X=O, S) type photosensitizers by covalent dye attachment.

F. Tuczek, R. Winter, H. Yersin, 2011, Chemical communications.

Time-resolved emission spectra and TD-DFT excited-state calculations of [W(CO)4(1,10-phenanthroline)] and [W(CO)4(3,4,7,8-tetramethyl-1,10-phenanthroline)]

J. Slageren, S. Záliš, Ian R. Farrell, 2001 .

Reactions of New Organoplatinum(II) and -(IV) Complexes of 1,4-Diaza-1,3-butadienes with Light and Electrons. Emission vs Photochemistry and the Electronic Structures of Ground, Reduced, Oxidized, and Low-Lying Charge-Transfer Excited States†

W. Kaim, H. Stoll, A. Klein, 1998 .

X-ray absorption spectroscopy of ground and excited rhenium-carbonyl-diimine complexes: evidence for a two-center electron transfer.

I. Tavernelli, U. Rothlisberger, M. Chergui, 2013, The journal of physical chemistry. A.

Thermally Tunable Dual Emission of the d(8)-d(8) Dimer [Pt2(μ-P2O5(BF2)2)4](4).

M. Kalbáč, H. Yersin, S. Záliš, 2016, Inorganic chemistry.

Complexes of 1,3‐Bis(diphenylphosphano)propane (dppp) with Dichloroplatinum(II) and Bis(chlorogold(I)): Intramolecular versus Intermolecular AuI–AuI Association of [(μ‐dppp)(AuCl)2] in catena and cyclo Forms

W. Kaim, A. Klein, S. Záliš, 2005 .

Electronic excitations in Fischer-type Cr and W aminocarbene complexes: a combined ab initio and experimental study.

C. Daniel, Megumi Kayanuma, S. Záliš, 2013, The journal of physical chemistry. A.

Electrochemical and density functional studies of the catalytic ethylene oxidation on nanostructured Au electrodes

P. Krtil, Hana Hoffmannová, Z. Samec, 2010 .

RAMAN SPECTROSCOPY OF NANOCRYSTALLINE Li-Ti-O SPINELS AND COMPARATIVE DFT CALCULATIONS ON TiyOz AND LixTiyOz CLUSTERS

P. Krtil, W. Plieth, K. Macounová, 2007 .

Electronic structures and photophysics of d^8-d^8 complexes

H. Gray, A. Vlček, S. Záliš, 2017 .

Electron-transfer acceleration investigated by time resolved infrared spectroscopy.

M. Towrie, S. Záliš, A. Vlček, 2015, Accounts of chemical research.

Relaxation dynamics of Pseudomonas aeruginosa Re(I)(CO)3(alpha-diimine)(HisX)+ (X = 83, 107, 109, 124, 126)Cu(II) azurins.

H. Gray, M. Towrie, B. Crane, 2009, Journal of the American Chemical Society.

A time-resolved infrared spectroscopic study of [M(SnR3)2(CO)2(α-diimine)] (M = Ru, Os; R = Ph, Me): evidence of charge redistribution in the lowest-excited state

M. W. George, D. J. Stufkens, J. Slageren, 2001 .

Halide ligand-more than just sigma-donors? A structural and spectroscopic study of homologous organonickel complexes.

F. Belaj, H. Bertagnolli, A. Klein, 2008, Inorganic chemistry.

X-ray absorption spectroscopy of ground and excited Rhenium-carbonyl-diimine com- plexes: Evidence for a two-centre electron transfer: Supplementary Information

I. Tavernelli, U. Rothlisberger, M. Chergui, 2012 .

The involvement of metal-to-CO charge transfer and ligand-field excited states in the spectroscopy and photochemistry of mixed-ligand metal carbonyls. A theoretical and spectroscopic study of [W(CO)(4)(1,2-ethylenediamine)] and [W(CO)(4)(N,N'-bis-alkyl-1,4-diazabutadiene)].

A. Vlček, S. Záliš, Ian R. Farrell, 2003, Journal of the American Chemical Society.

New organic FET-like photoactive device, experiments and DFT modeling

J. Sworakowski, S. Nešṗrek, I. Kratochvílová, 2008, The European physical journal. E, Soft matter.

Comments on "Theoretical studies of ground and excited electronic states in a series of halide rhenium(I) bipyridine complexes".

S. Záliš, A. Vlček, 2004, The journal of physical chemistry. A.

Photoinduced hole hopping through tryptophans in proteins

H. Gray, J. Heyda, J. Winkler, 2021, Proceedings of the National Academy of Sciences.

Structural flexibility of 2-hetaryl chromium aminocarbene complexes: Experimental and theoretical evidence

V. Eigner, J. Čejka, Tomáš Tobrman, 2014 .

Spectroscopy and photochemical reactivity of cyclooctadiene platinum complexes

A. Klein, J. Slageren, S. Záliš, 2001 .

Tuning of nanodiamond particles' optical properties by structural defects and surface modifications: DFT modelling

M. Nesladek, V. Petráková, A. Kovalenko, 2011 .

An odd-electron complex [Ru(k)(NO(m))(Q(n))(terpy)]2+ with two prototypical non-innocent ligands.

A. Das, C. Duboc, W. Kaim, 2009, Angewandte Chemie.

On the Borderline between cis and trans in Organometallic (Phosphane)platinum(II) Complexes

A. Klein, V. Jain, D. Gudat, 2005 .

Organoplatinum Complexes of the N,N‐Diisopropyl‐diazabutadiene Ligand: A Structural and Spectroscopic Study

A. Klein, S. Záliš, T. Schurr, 2005 .

A semiempirical molecular orbital study of transition metals maleonitriledithiolate redox series

S. Záliš, A. Vlc̆ek, 1982 .

Ruthenium Styryl Complexes with Ligands Derived from 2-Hydroxy- and 2-Mercaptopyridine and 2-Hydroxy- and 2-Mercaptoquinoline

R. Winter, S. Záliš, J. Maurer, 2015 .

Optical and Infrared Spectroelectrochemical Studies of CN-Substituted Bipyridyl Complexes of Ruthenium(II).

J. McCusker, A. Vlček, M. Rebarz, 2021, Inorganic chemistry.

Photophysical Heavy-Atom Effect in Iodinated Metallocorroles: Spin-Orbit Coupling and Density of States.

E. Pomarico, M. Chergui, Z. Gross, 2018, The journal of physical chemistry. A.

Complexation of the strontium cation with a macrocyclic lactam receptor: Experimental and theoretical study

E. Makrlík, P. Vaňura, S. Záliš, 2016 .

Theoretical analysis of low‐lying charge transfer states in [Ru(X) (Me)(CO)2(Me‐DAB)] (XCl, I; DAB1,4‐diaza‐1,3‐butadiene) complexes by TDDFT and CASSCF/CASPT2 methods

C. Daniel, S. Záliš, N. B. Amor, 2006 .

2‐Organoselenomethyl‐1H‐benzimidazole Complexes of Copper(II) and Copper(I)

C. Su, J. Heck, W. Kaim, 2009 .

Silver(I), Copper(I) and Copper(II) Complex of the New N,Se‐Chelate Ligand 2‐Phenylselenomethyl‐1H‐benzimidazole: Electrochemistry and Structure

W. Kaim, J. Fiedler, B. Sarkar, 2009 .

Allenylidene complexes of ruthenium: synthesis, spectroscopy and electron transfer properties

R. Winter, S. Záliš, 2004 .

[(mu-L)[RuII(acac)2]2]n, n= 2+, +, 0, -, 2-, with L = 3,3',4,4'-tetraimino-3,3',4,4'-tetrahydrobiphenyl. EPR-supported assignment of NIR absorptions for the paramagnetic intermediates.

W. Kaim, J. Fiedler, S. Patra, 2004, Dalton transactions.

Aminoallenylidene complexes of ruthenium(II) from the regioselective addition of secondary amines to butatrienylidene intermediates: a combined experimental and theoretical study of the hindered rotation around the CN-bond

R. Winter, Stephan Hartmann, S. Záliš, 2003 .

Ligand-to-ligand charge transfer states and photochemical bond homolysis in metalcarbon bonded platinum complexes

A. Klein, J. Slageren, S. Záliš, 2002 .

Dimethylplatinum(II) and tetramethylplatinum(IV) complexes of 1-methyl-(2-alkylthiomethyl)-1H-benzimidazoles: experimental and DFT-calculated structures and NMR spectra

W. Kaim, V. Jain, S. Záliš, 2002 .

Experimental and DFT calculated structure of the diruthenium(2.5) complex [(Me3TACN)Ru(μ-Cl)3Ru(Me3TACN)](PF6)2

W. Kaim, A. Klein, S. Záliš, 2001 .

Electronic excitations in doubly charged TCNQ dimers, trimers and tetramers

J. Málek, V. Drchal, S. Záliš, 1984 .

The effect of side-group substitution on the energy gaps of phenylene and thienylene oligomers and polymers

M. Kertész, S. Záliš, 1992 .

CI treatment of charged TCNQ clusters in a localized basis: connection with the extended Hubbard model

J. Málek, V. Drchal, S. Záliš, 1985 .

Resonance Raman Spectra of d6 Metal-diimine Complexes Reflect Changes in Metal-Ligand and Character of Electronic Transition.

D. J. Stufkens, A. Klein, J. Slageren, 2001 .

Ultrafast excited-state dynamics of rhenium(I) photosensitizers [Re(Cl)(CO)3(N,N)] and [Re(imidazole)(CO)3(N,N)]+: diimine effects.

I. Clark, M. Towrie, M. Chergui, 2011, Inorganic chemistry.

The CNDO-MO study of oxygen impurity states in AlN crystal

J. Málek, S. Záliš, B. Hejda, 1977 .

Ultrafast Wiggling and Jiggling: Ir2(1,8-diisocyanomenthane)42.

Bryan M. Hunter, H. Gray, G. M. Greetham, 2017, The journal of physical chemistry. A.

Fine tuning of the catalytic effect of a metal-free porphyrin on the homogeneous oxygen reduction.

H. Girault, Z. Samec, A. Trojanek, 2011, Chemical communications.

Mechanistic model of the oxygen reduction catalyzed by a metal-free porphyrin in one- and two-phase liquid systems

Z. Samec, A. Trojanek, J. Langmaier, 2013 .

Ligand-centred reactivity of bis(picolyl)amine iridium: sequential deprotonation, oxidation and oxygenation of a "non-innocent" ligand.

Bas de Bruin, Cristina Tejel, M Pilar del Río, 2009, Chemistry.

Metal-induced tautomerization of p- to o-quinone compounds: experimental evidence from CuI and ReI complexes of azophenine and DFT studies.

W. Kaim, T. Schleid, I. Hartenbach, 2004, Chemistry.

Reversible Intramolecular Single-Electron Oxidative Addition Involving a Hemilabile Noninnocent Ligand

W. Kaim, B. Sarkar, S. Záliš, 2011 .

The semiquinone-ruthenium combination as a remarkably invariant feature in the redox and substitution series [Ru(Q)(n)(acac)(3-n)](m), n = 1-3; m = (-2), -1, 0, +1, (+2); Q = 4,6-Di-tert-butyl-N-phenyl-o-iminobenzoquinone.

A. Das, S. Mobin, W. Kaim, 2009, Inorganic chemistry.

Isomeric separation in donor-acceptor systems of Pd(II) and Pt(II) and a combined structural, electrochemical and spectroelectrochemical study.

J. Fiedler, B. Sarkar, David Schweinfurth, 2011, Dalton transactions.

Ruthenium complexes with vinyl, styryl, and vinylpyrenyl ligands: a case of non-innocence in organometallic chemistry.

W. Kaim, R. Winter, C. Anson, 2008, Journal of the American Chemical Society.

NO and NO2 as non-innocent ligands: A comparison

A. Das, W. Kaim, J. Fiedler, 2020 .

Charge and spin coupling in copper compounds with hemilabile noninnocent ligands – Ambivalence in three dimensions

W. Kaim, S. Záliš, Katharina Beyer, 2018 .

Probing the Intramolecular Metal-Selenoether Interaction in a Bis(iminosemiquinone)copper(II) Compound

W. Kaim, P. Neugebauer, S. Záliš, 2017 .

Structure and Spectroelectrochemical Response of Arene–Ruthenium and Arene–Osmium Complexes with Potentially Hemilabile Noninnocent Ligands

W. Kaim, Q. Zeng, J. Fiedler, 2014 .

W. Kaim, J. Fiedler, S. Záliš, 2014, Chemistry.

Metal(IV) Complexes [M(LN,O,S)2]n (M = Ru, Os) of a Redox‐Active o‐Amidophenolate Ligand (LN,O,S)2– with Coordinating Thioether Appendix

W. Kaim, J. Fiedler, B. Sarkar, 2012 .

UV-vis-NIR and EPR characterisation of the redox series [MQ(3)](2+,+,0,-,2-), M = Ru or Os, and Q = o-quinone derivative.

A. Das, W. Kaim, J. Fiedler, 2012, Dalton transactions.

Filling gaps in the series of noninnocent hetero-1,3-diene chelate ligands: ruthenium complexes of redox-active α-azocarbonyl and α-azothiocarbonyl ligands RNNC(R')E, E = O or S.

W. Kaim, I. Hartenbach, David Schweinfurth, 2012, Inorganic chemistry.

Effect of metal exchange (Os vs. Ru) and co-ligand variation (Cl(-)vs. acac(-)) on the oxidation state distribution in complexes of an o-phenylenediamido(2(-))/o-quinonediimine redox system.

W. Kaim, Priti Singh, S. Chatterjee, 2009, Dalton transactions.

A five-center redox system: molecular coupling of two noninnocent imino-o-benzoquinonato-ruthenium functions through a pi acceptor bridge.

A. Das, W. Kaim, I. Hartenbach, 2009, Journal of the American Chemical Society.

Copper complexes with non-innocent ligands: probing CuII/catecholato-CuI/o-semiquinonato redox isomer equilibria with EPR spectroscopy

W. Kaim, S. Záliš, M. Wanner, 2002 .

Analysis of Multiple Redox Sites in Complexes [M(C 5 Me 5 )(Q)(NO)] n , M=Ru or Os, Q= o ‐Quinones

W. Kaim, I. Hartenbach, J. Fiedler, 2021 .

Variable electronic structure and spin distribution in bis(2,2'-bipyridine)-metal complexes (M = Ru or Os) of 4,5-dioxido- and 4,5-diimido-pyrene.

W. Kaim, A. Hazari, G. K. Lahiri, 2021, Dalton transactions.

Analysis of a Diimine-Organonickel Redox Series

W. Kaim, M. Ringenberg, S. Záliš, 2020 .

Oxidation State Assignments in the Organoplatinum One‐Electron Redox Series [(N ^ N)PtMes 2 ] n , n = +,0, –,2‐

W. Kaim, M. Ringenberg, J. Fiedler, 2020, European Journal of Inorganic Chemistry.

Hybrid α‐Diimine/Bis(chalcogenoether) Ligands for Copper(I) and Copper(II) Complexes

W. Kaim, J. Fiedler, S. Záliš, 2018 .

The BIAN ligand 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene: An electron sponge or a “normal” α-diimine ligand?

W. Kaim, J. Fiedler, S. Záliš, 2017 .

Different manifestations of enhanced π-acceptor ligation at every redox level of [Os(9-OP)L2]n, n = 2+, +, 0, - (9-OP- = 9-oxidophenalenone and L = bpy or pap).

W. Kaim, J. Fiedler, A. Hazari, 2016, Dalton transactions.

Vinyl ruthenium-modified biphenyl and 2,2'-bipyridines.

Xiaoyan He, R. Winter, S. Rigaut, 2015, Inorganic chemistry.

Non‐innocent Redox Behavior of Amidinato Ligands: Spectroscopic Evidence for Amidinyl Complexes

W. Kaim, S. Záliš, Martina Bubrin, 2014 .

Oxidation and reduction response of α-diimine complexes with tricarbonylrhenium halides and pseudohalides

W. Kaim, Anita Grupp, S. Záliš, 2014 .

RuII(α-diimine) or RuIII(α-diimine·–)? Structural, Spectroscopic, and Theoretical Evidence for the Stabilization of a Prominent Metal-to-Ligand Charge-Transfer Excited-State Configuration in the Ground State†

W. Kaim, Q. Zeng, Anita Grupp, 2014 .

Identifying intermediates of sequential electron and hydrogen loss from a dicarbonylcobalt hydride complex.

W. Kaim, J. Fiedler, F. Lissner, 2013, Angewandte Chemie.

Charged, but found "not guilty": innocence of the suspect bridging ligands [RO(O)CNNC(O)OR]2- = L2- in [(acac)2Ru(μ-L)Ru(acac)2]n, n = +,0,-,2-.

S. Mobin, W. Kaim, J. Fiedler, 2012, Inorganic chemistry.

Structural Reassessment of [W(CO)5(TCNE)]: N (σ) Coordination Instead of an Olefin (π) Complex

J. Field, W. Kaim, S. Záliš, 2012 .

Solar cell sensitizer models [Ru(bpy-R)2(NCS)2] probed by spectroelectrochemistry.

W. Kaim, J. Fiedler, S. Záliš, 2012, Inorganic chemistry.

(α-Diimine)tricarbonylhalorhenium complexes: the oxidation side.

W. Kaim, J. Fiedler, S. Záliš, 2012, Dalton transactions.

Electron delocalization in vinyl ruthenium substituted cyclophanes: Assessment of the through-space and the through-bond pathways

S. Clément, R. Winter, D. Collison, 2011 .

How to elucidate and control the redox sequence in vinylbenzoate and vinylpyridine bridged diruthenium complexes.

R. Winter, B. Sarkar, S. Záliš, 2010, Dalton transactions.

Quantum chemical interpretation of redox properties of ruthenium complexes with vinyl and TCNX type non-innocent ligands

W. Kaim, R. Winter, S. Záliš, 2010 .

The 1,4-diazabutadiene/1,2-enediamido non-innocent ligand system in the formation of iridaheteroaromatic compounds: Spectroelectrochemistry and electronic structure

W. Kaim, S. Greulich, J. Fiedler, 2010 .

Spectroelectrochemistry and DFT analysis of a new {RuNO}n redox system with multifrequency EPR suggesting conformational isomerism in the {RuNO}7 state.

C. Duboc, W. Kaim, T. Schleid, 2007, Inorganic chemistry.

Electronic transitions and bonding properties in a series of five-coordinate “16-electron” complexes [Mn(CO)3(L2)]− (L2 = chelating redox-active π-donor ligand)

P. Rosa, P. Floch, L. Ricard, 2007 .

Electron delocalization in mixed-valence butadienediyl-bridged diruthenium complexes

R. Winter, B. Sarkar, S. Záliš, 2005 .

Azo compounds as electron acceptor or radical ligands in transition metal species: spectroelectrochemistry and high-field EPR studies of ruthenium, rhodium and copper complexes of 2,2'-azobis(5-chloropyrimidine)

W. Kaim, F. Baumann, J. Fiedler, 2003 .

2,5-Bis(1-phenyliminoethyl)pyrazine (bpip): a conjugated metal–metal bridging acceptor ligand and its homodinuclear complexes with low-valent metal centres

W. Kaim, A. Klein, J. Fiedler, 1999 .

Charge Transfer Phenomena in Transition Metal Sulphur Chemistry

W. Kaim, J. Fiedler, F. Hornung, 1998 .

A study of the reduced states of four isomeric bidiazines (diaza-2,2′-bipyridines) by UV–VIS/NIR-spectroelectrochemistry

W. Kaim, W. Matheis, S. Záliš, 1992 .

Evidence for the dimer-of-(mixed-valent dimers) configuration in tetranuclear {(μ4-TCNX)[Ru(NH3)5]4}8+, TCNX = TCNE and TCNQ, from DFT calculations

C. Duboc, W. Kaim, Carole Duboc, 2009 .

EPR characteristics of the [(NC)(5)M(NO)](3-) ions (M = Fe, Ru, Os). Experimental and DFT study establishing NO* as a ligand.

E. Baerends, W. Kaim, L. D. Slep, 2001, Inorganic chemistry.

Complex reduction chemistry of (abpy)PtCl2, abpy = 2,2'-azobispyridine: formation of cyclic [(micro,eta2:eta1-abpy)PtCl]2(2+) with a new coordination mode for abpy and a near-infrared ligand-to-ligand intervalence charge transfer absorption of the one-electron reduced state.

W. Kaim, T. Schleid, A. Klein, 2004, Inorganic chemistry.

Stabilizing the elusive ortho-quinone/copper(I) oxidation state combination through pi/pi interaction in an isolated complex.

W. Kaim, B. Sarkar, G. K. Lahiri, 2008, Journal of the American Chemical Society.

Bridge dominated oxidation of a diruthenium 1,3-divinylphenylene complex.

R. Winter, J. Fiedler, B. Sarkar, 2004, Chemical communications.

Metal-Induced Thiophene Ring Opening and C-C Bond Formation To Produce Unique Hexa-1,3,5-trienediyl-Coupled Non-Innocent Ligand Chelates.

W. Kaim, J. L. Priego, R. Jiménez-Aparicio, 2015, Chemistry.

Modeling of charge-transfer transitions and excited states in d6 transition metal complexes by DFT techniques

A. Vlček, S. Záliš, A. Vlček, 2007 .

Towards new organometallic wires: tetraruthenium complexes bridged by phenylenevinylene and vinylpyridine ligands.

W. Kaim, R. Winter, B. Sarkar, 2007, Chemistry.

Metal vs ligand reduction in complexes of 1,3-dimethylalloxazine (DMA) with copper(I), ruthenium(II), and tungsten(VI). Crystal structures of (DMA)WO2Cl2 and (bis(1-methylimidazol-2-yl)ketone)WO2Cl2.

W. Kaim, J. Fiedler, F. Hornung, 2000, Inorganic chemistry.

Vinyl-ruthenium entities as markers for intramolecular electron transfer processes

R. Winter, S. Záliš, M. Linseis, 2011 .

Ligand-Centered Oxidations and Electron Delocalization in a Tetranuclear Complex of a Tetradonor-Substituted Olefin

W. Kaim, R. Winter, B. Sarkar, 2008 .

Singlet diradical complexes of ruthenium and osmium: geometrical and electronic structures and their unexpected changes on oxidation.

W. Kaim, S. Samanta, Priti Singh, 2008, Inorganic chemistry.

Geometrical and Ground State Electronic Structures of Nitrosylcobalt Complexes [(RNCHCHNR)Co(NO)(CO)] (R = Isopropyl, 2,6-Diisopropylphenyl orp-Tolyl) from Experiment and DFT-Calculations

W. Kaim, S. Záliš, T. Scheiring, 2002 .

Diquaternized heterocycles with strong electronic coupling between a metal-chelating site and a methylviologen-type redox function: EPR/ENDOR detected coordination of metal ions and complexes by radical cation intermediates

W. Kaim, W. Matheis, S. Záliš, 1994 .

Reduced and excited states of the intermediates (alpha-diimine)(C5R5)Rh in hydride transfer catalysis schemes: EPR and resonance Raman spectroscopy, and comparative DFT calculations of Co, Rh and Ir analogues.

W. Kaim, H. Stoll, D. J. Stufkens, 2004, Dalton transactions.

Ruthenium−Aminoallenylidene Complexes from Butatrienylidene Intermediates via an Aza-Cope Rearrangement: Synthetic, Spectroscopic, Electrochemical, Spectroelectrochemical, and Computational Studies

R. Winter, S. Záliš, K. Klinkhammer, 2001 .

Crucial role of Cu-S bonding for structural changes accompanying the reversible CuI/CuII transition in an unrestrained Cu(N[symbol: see text]S)2 coordination arrangement. An experimental and DFT study.

M. Albrecht, W. Kaim, S. Záliš, 2000, Inorganic chemistry.

On the Electronic Structure of Mesitylnickel Complexes of α‐Diimines — Combining Structural Data, Spectroscopy and Calculations

M. Feth, H. Bertagnolli, A. Klein, 2004 .

Metal-Chelating N,N'-Bis(4-dimethylaminophenyl)acetamidinyl Radical: A New Chromophore for the Near-Infrared Region.

W. Kaim, S. Záliš, Martina Bubrin, 2015, Chemistry.

Pd(II) Catalyzed Transformation of Schiff Bases in Complexes of the Type trans-[PdCl2(NH2Ar—X)2] (X: H, CH3, Cl): Reactivity with Aldehydes and Heck Coupling Reaction.

V. Yadav, S. Záliš, L. Mishra, 2012 .

A model calculation of redox potential sequence of systems with mutually interacting redox centers: M(bpy)(2-n)+3 systems

V. Drchal, S. Záliš, 1987 .

EPR Insensitivity of the Metal‐Nitrosyl Spin‐Bearing Moiety in Complexes [LnRuII‐NO·]k

W. Kaim, F. Roncaroli, B. Sarkar, 2004 .

Discovering more non-innocence: triazenido versus triazenyl radical ligand function, and a comment on [NO2]n as a "suspect" ligand.

W. Kaim, S. Záliš, Martina Bubrin, 2013, Angewandte Chemie.

2,2'-Azobis(pyridine) (abpy) as a multiply reducible tetradentate ligand. EPR evidence for the configurational dependence of intramolecular electron transfer in the stereoisomeric tris-chelate ruthenium complexes [Ru(abpy)n(bpy)3-n]m (n = 2, 3; m = 2+ to 3-)

W. Kaim, D. Sýkora, A. Klein, 1993 .

Dimerization of the 2-(Methylselenomethyl)benzimidazole-silver(I) Cation Involving a AgI–AgI Interaction†

W. Kaim, M. Niemeyer, S. Záliš, 2008 .

Localised to intraligand charge-transfer states in cyclometalated platinum complexes: an experimental and theoretical study into the influence of electron-rich pendants and modulation of excited states by ion binding.

J. Williams, D. L. Rochester, S. Záliš, 2009, Dalton transactions.

Fischer aminocarbene complexes of chromium and iron: Anomalous electrochemical reduction of p-carbonyl substituted derivatives

J. Ludvík, D. Dvořák, Tomáš Tobrman, 2011 .

Structural Flexibility of the Hydrogen-Free Acceptor Ligand Octachloro-1,10-phenanthroline in Its Complexes with d10 Metal Ions

W. Kaim, S. Záliš, C. Titze, 1997 .

Competitive inhibition of a metal-free porphyrin oxygen-reduction catalyst by water.

Z. Samec, A. Trojanek, J. Langmaier, 2012, Chemical communications.

Electronic properties of 4,4',5,5'-tetramethyl-2,2'-biphosphinine (tmbp) in the redox series fac-[Mn(Br)(CO)3(tmbp)], [Mn(CO)3(tmbp)]2, and [Mn(CO)3(tmbp)](-): crystallographic, spectroelectrochemical, and DFT computational study.

P. Rosa, P. le Floch, L. Ricard, 2003, Inorganic chemistry.

Proof of innocence for the quintessential noninnocent ligand TCNQ in its tetranuclear complex with four [fac-Re(CO)3(bpy)]+ groups: unusually different reactivity of the TCNX ligands (TCNX = TCNE, TCNQ, TCNB).

W. Kaim, A. Klein, J. Fiedler, 2003, Inorganic chemistry.

Low-valent cobalt complexes with three different pi acceptor ligands: experimental and DFT studies of the reduced and the low-lying excited states of (R-DAB)Co(NO)(CO), R-DAB = substituted 1,4-diaza-1,4-butadiene.

W. Kaim, D. J. Stufkens, S. Záliš, 2003, Inorganic chemistry.

Redox properties of ruthenium nitrosyl porphyrin complexes with different axial ligation: structural, spectroelectrochemical (IR, UV-visible, and EPR), and theoretical studies.

A. Das, W. Kaim, F. Roncaroli, 2008, Inorganic chemistry.

Boron atoms as spin carriers in two- and three-dimensional systems.

W. Lipscomb, W. Kaim, N. Hosmane, 2009, Angewandte Chemie.

Femtosecond fluorescence and intersystem crossing in rhenium(I) carbonyl-bipyridine complexes.

M. Chergui, A. El Nahhas, A. Cannizzo, 2008, Journal of the American Chemical Society.

Multiple Isomerism (cis / trans; syn / anti) in [(dmso)~2Pt(aryl)~2] Complexes: A Combined Structural, Spectroscopic, and Theoretical Investigation

W. Kaim, A. Klein, V. Jain, 2005 .

Complementary hydrogen bonding of a carboxylato-barbiturate with urea and acetamide: experimental and theoretical approach.

S. Záliš, L. Mishra, Md. Amin Hasan, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Charge transfer in porphyrin-calixarene complexes: ultrafast kinetics, cyclic voltammetry, and DFT calculations.

Marcel Fuciman, T. Polívka, P. Kubát, 2011, Physical Chemistry, Chemical Physics - PCCP.

Metal carbonyl complexes of potentially ambidentate 2,1,3-benzothiadiazole and 2,1,3-benzoselenadiazole acceptors

W. Kaim, David Schweinfurth, S. Záliš, 2017 .

Electronic Structures of Reduced and Superreduced Ir2(1,8-diisocyanomenthane)4n+ Complexes.

Bryan M. Hunter, H. Gray, S. Záliš, 2017, Inorganic Chemistry.

Oxygen reduction catalyzed by a fluorinated tetraphenylporphyrin free base at liquid/liquid interfaces.

H. Girault, C. Corminboeuf, M. Ersoz, 2010, Journal of the American Chemical Society.

Reduced and Superreduced Diplatinum Complexes.

Tania V. Darnton, Bryan M. Hunter, H. Gray, 2016, Journal of the American Chemical Society.

Spin-orbit TDDFT electronic structure of diplatinum(II,II) complexes.

H. Gray, A. Vlček, S. Záliš, 2015, Inorganic chemistry.

Photophysics of singlet and triplet intraligand excited states in [ReCl(CO)3(1-(2-pyridyl)-imidazo[1,5-α]pyridine)] complexes.

M. Towrie, J. Sýkora, C. Nervi, 2014, Journal of the American Chemical Society.

Relativistic effects in spectroscopy and photophysics of heavy-metal complexes illustrated by spin–orbit calculations of [Re(imidazole)(CO)3(phen)]+

M. Chergui, C. Daniel, S. Záliš, 2011 .

Ultrafast excited-state dynamics of [Re(L)(CO)3(bpy)]n complexes: involvement of the solvent.

F. van Mourik, M. Chergui, A. El Nahhas, 2010, The journal of physical chemistry. A.

Tetranuclear complexes of [Fe(CO)2(C5H5)]+ with TCNX ligands (TCNX=TCNE, TCNQ, TCNB): intramolecular electron transfer alternatives in compounds (mu4-TCNX)[MLn]4.

P. Gütlich, C. Duboc, W. Kaim, 2007, Inorganic chemistry.

Co-Ligand Involvement in Ground and Excited States of Electron-Rich (Polypyridyl)PtII Complexes

A. Klein, J. Slageren, S. Záliš, 2003 .

Coordination-induced switch between the singly occupied and the lowest unoccupied molecular orbitals in two methylviologen-derived chromophores

W. Kaim, S. Záliš, M. Zulu, 1996 .

Structural and electronic changes accompanying reduction of Cr(CO)4(bpy) to its radical anion: a quantum chemical interpretation of spectroelectrochemical experiments

C. Daniel, S. Záliš, A. Vlček, 1999 .

Geometrical and electronic structures of dinuclear complex ions {(mu-bpym)[Cu(EAr3)2]2}2+ with intramolecular "organic sandwich" formation (E = P or As; Ar = Aryl; bpym = 2,2'-bipyrimidine).

W. Kaim, A. Klein, J. Fiedler, 2005, Inorganic chemistry.

Electronic structures of two kinds of oligoborane radical anions: mixed-valence description of a reduced p-phenylenediborane and spin density distributions in distorted octahedral clusters [B6Hal6]•−, Hal = Cl, Br, I

W. Kaim, S. Záliš, 2007 .

CpIr(dab) (dab = 1,4-Bis(2,6-dimethylphenyl)-1,4-diazabutadiene): A Coordinatively Unsaturated Six-pi-Electron Metallaheteroaromatic Compound?

W. Kaim, H. Stoll, S. Greulich, 1996, Inorganic chemistry.

UV-visible absorption spectra of [Ru(E)(E')(CO)(2)(iPr-DAB)] (E = E' = SnPh(3) or Cl; E = SnPh(3) or Cl, E' = CH(3); iPr-DAB = N,N'-Di-isopropyl-1,4-diaza-1,3-butadiene): combination of CASSCF/CASPT2 and TD-DFT calculations.

C. Daniel, A. Vlček, D. J. Stufkens, 2001, Journal of the American Chemical Society.

Complexation of Eu3+ with a macrocyclic lactam receptor: Experimental and theoretical study

E. Makrlík, P. Vaňura, S. Záliš, 2013 .

Experimental and DFT study on complexation of Eu3+ with a macrocyclic lactam receptor

E. Makrlík, P. Vaňura, S. Záliš, 2013, Structural Chemistry.

Electronic structure of the "molecular light switch" bis(bipyridine)dipyrido[3,2-a:2',3'-c]phenazineruthenium(2+). Cyclic voltammetric, UV/visible and EPR/ENDOR study of multiply reduced complexes and ligands

W. Kaim, J. Klima, W. Matheis, 1993 .

Platinum(II) Complexes of 2-(Dimethylamino)ethylselenolate − Donor−Acceptor Inter-Ligand Interactions as Evident from Experimental and TD-DFT Computational Analysis

W. Kaim, V. Jain, S. Dey, 2001 .

Charge Delocalization in a Heterobimetallic Ferrocene−(Vinyl)Ru(CO)Cl(PiPr3)2 System††Dedicated to Prof. Dr. Helmut Werner on the occasion of his 75th birthday

W. Kaim, R. Winter, K. Kowalski, 2009 .

Divinylphenylene bridged diruthenium complexes bearing Ru(CO)Cl(PiPr3)2 entities

W. Kaim, R. Winter, B. Sarkar, 2006 .

A tetranuclear organorhenium(i) complex of the 2,3,5,6-tetrafluoro-7,7,8,8-tetracyano-p-quinodimethane radical anion, TCNQF4 (-).

C. Duboc, W. Kaim, B. Sarkar, 2008, Dalton transactions.

Structure, spectroscopy and magnetism of 1,4-dihydro-1,4-diazine radical cations: Exceptionally stable intermediates related to methylviologen and flavosemiquinone radicals

W. Kaim, F. Hilgers, S. Záliš, 1993 .

Excited-state characters and dynamics of [W(CO)(5)(4-cyanopyridine)] and [W(CO)(5)(piperidine)] studied by picosecond time-resolved IR and resonance Raman spectroscopy and DFT calculations: roles of W --> L and W --> CO MLCT and LF excited states revised.

P. Matousek, M. Towrie, Michael Busby, 2004, Inorganic chemistry.

The stable diiron(2.5) complex ion [(NC)(5)Fe(mu-tz)Fe(CN)5](5-), tz = 1,2,4,5-tetrazine, and its neighboring oxidation states.

P. Gütlich, F. Renz, A. Klein, 2001, Inorganic Chemistry.

Hole Hopping Across a Protein-Protein Interface.

H. Gray, J. Heyda, M. Towrie, 2019, The journal of physical chemistry. B.

Origin of the correlation between the standard Gibbs energies of ion transfer from water to a hydrophobic ionic liquid and to a molecular solvent

V. Bovtun, M. Kempa, Z. Samec, 2013 .

Monte carlo simulations of adsorption/desorption processes related to adsorptive stripping voltametry

S. Záliš, L. Pospíšil, N. Fanelli, 1990 .

Origin of electronic absorption spectra of MLCT-excited and one-electron reduced 2,2′-bipyridine and 1,10-phenanthroline complexes

M. Chergui, C. Consani, A. Cannizzo, 2011 .

Electronic structure and excited states of rhenium(I) amido and phosphido carbonyl-bipyridine complexes studied by picosecond time-resolved IR spectroscopy and DFT calculations.

P. Matousek, M. Towrie, Michael Busby, 2006, Inorganic chemistry.

Excited states of nitro-polypyridine metal complexes and their ultrafast decay. Time-resolved IR Absorption, spectroelectrochemistry, and TD-DFT calculations of fac-[Re(Cl)(CO)3(5-nitro-1,10-phenanthroline)].

P. Matousek, M. Towrie, F. Hartl, 2005, The journal of physical chemistry. A.

Ligand-to-Diimine/Metal-to-Diimine Charge-Transfer Excited States of [Re(NCS)(CO)3(α-diimine)] (α-diimine = 2,2‘-bipyridine, di-iPr-N,N-1,4-diazabutadiene). A Spectroscopic and Computational Study

P. Matousek, M. Towrie, M. Motevalli, 2005 .

Ultrafast photochemical dissociation of an equatorial CO ligand from trans(X,X)-[Ru(X)2(CO)2(bpy)] (X = Cl, Br, I): a picosecond time-resolved infrared spectroscopic and DFT computational study.

P. Matousek, M. Towrie, S. Záliš, 2004, Inorganic chemistry.

Adsorptive Stripping Voltammetry of Alkanesulfonates: Two Adsorbed Forms of Tridecanesulfonate and Its Monte-Carlo Models

S. Záliš, L. Pospíšil, N. Fanelli, 1998 .

The Monte Carlo simulation of the voltammetry at fractal surfaces

S. Záliš, L. Pospíšil, N. Fanelli, 1991 .

The growth of compact layers at the electrode interface: Part III. Monte Carlo simulations of the formation of fractal structures by diffusion-limited aggregation

S. Záliš, L. Pospíšil, N. Fanelli, 1989 .

Excited-state relaxation dynamics of Re(I) tricarbonyl complexes with macrocyclic phenanthroline ligands studied by time-resolved IR spectroscopy.

M. Towrie, J. Collin, S. Záliš, 2009, Dalton transactions.

Lipophilicity of acetylcholine and related ions examined by ion transfer voltammetry at a polarized room-temperature ionic liquid membrane

Z. Samec, J. Langmaier, S. Záliš, 2018 .

Extreme Basicity of Biguanide Drugs in Aqueous Solutions: Ion Transfer Voltammetry and DFT Calculations.

Z. Samec, J. Langmaier, S. Záliš, 2016, The journal of physical chemistry. A.

Synthesis and electrochemical study of iron, chromium and tungsten aminocarbenes: Role of ligand structure and central metal nature

J. Ludvík, D. Dvořák, Tomáš Tobrman, 2010 .

Electronic absorption spectroscopy of some exceptionally stable 1,4-dialkyl-1,4-dihydro-1,4-diazinium radical cations: assignment of transitions, vibrational structure and effects of π–π dimerization

W. Kaim, F. Hilgers, S. Záliš, 1994 .

Phototriggering electron flow through Re(I)-modified Pseudomonas aeruginosa azurins.

H. Gray, I. Clark, M. Towrie, 2011, Chemistry.

Photoinduced intramolecular tryptophan oxidation and excited-state behavior of [Re(L-AA)(CO)3(α-diimine)](+) (L = pyridine or imidazole, AA = tryptophan, tyrosine, phenylalanine).

M. Towrie, J. Sýkora, S. Záliš, 2011, Inorganic chemistry.

CNDO/S-CI calculation of Hubbard parameters for doubly charged TCNQ tetramer

J. Málek, V. Drchal, S. Záliš, 1982 .

Supermolecular CNDO/S calculation of parameters for extended hubbard hamiltonian of TCNQ dimers

J. Málek, K. Král, S. Záliš, 1980 .

Charge carrier mobility in sulphonated and non-sulphonated Ni phthalocyanines: experiment and quantum chemical calculations

S. Nespurek, N. Glezos, I. Kratochvílová, 2009 .

Superexchange, charge gap, and lattice distortions of Sr(Ca)2CuO3—the interplay ofe-e ande-ph interactions

J. Málek, K. Rościszewski, S. Drechsler, 1996 .

Inhibitory effect of water on the oxygen reduction catalyzed by cobalt(II) tetraphenylporphyrin.

Z. Samec, A. Trojanek, J. Langmaier, 2014, The journal of physical chemistry. A.

Electrochemical oxidation of [Cr(CO)4(tmp)] to the low-spin Cr(I) species [Cr(CO)4(tmp)]+ (tmp=3,4,7,8-tetramethyl-1,10-phenanthroline): an IR, UV–Vis, and EPR spectroelectrochemical and DFT computational study of the accompanying changes in molecular and electronic structure

W. Kaim, F. Hartl, S. Záliš, 2001 .

Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein

H. Gray, J. Heyda, M. Towrie, 2019, ACS central science.

Structural basis for unusually long wavelength charge transfer transitions in complexes [MCl(ECH(2)CH(2)NMe(2))(PR(3))] (E = Te, Se; M = Pt, Pd): experimental results and TD-DFT calculations.

W. Kaim, A. Klein, V. Jain, 2002, Inorganic chemistry.

Spin-orbit treatment of UV-vis absorption spectra and photophysics of rhenium(I) carbonyl-bipyridine complexes: MS-CASPT2 and TD-DFT analysis.

J. Sýkora, C. Daniel, E. Gindensperger, 2012, The journal of physical chemistry. A.

Solvation-driven excited-state dynamics of [Re(4-Et-Pyridine)(CO)3(2,2'-bipyridine)]+ in imidazolium ionic liquids. A time-resolved infrared and phosphorescence study.

J. Sýkora, M. Hof, A. Vlček, 2008, The journal of physical chemistry. A.

The character of low-lying excited states of mixed-ligand metal carbonyls. TD-DFT and CASSCF/CASPT2 study of [W(CO)4L] (L = ethylenediamine, N, N'-dialkyl-1,4-diazabutadiene) and [W(CO)5L] (L = pyridine, 4-cyanopyridine)

C. Daniel, S. Záliš, A. Vlček, 2003 .

Nanosecond CO photodissociation and excited-state character of [Ru(X)(X')(CO)2(N,N'-diisopropyl-1,4-diazabutadiene)] (X=X'=Cl or I; X=Me, X'=I; X=SnPh3, X'=Cl) studied by time-resolved infrared spectroscopy and DFT calculations.

M. Towrie, S. Záliš, A. Vlček, 2008, Inorganic Chemistry.

Electronic Structure of π-Conjugated Redox Systems with Borane/Borataalkene End Groups

W. Kaim, A. Klein, S. Záliš, 1996 .

π* Molecular Orbital Crossing a2(χ)/b1(ψ) in 1,10-Phenanthroline Derivatives. Ab Initio Calculations and EPR/ENDOR Studies of the 4,7-Diaza-1,10-phenanthroline Radical Anion and Its M(CO)4 Complexes (M = Cr, Mo, W)

S. Ernst, A. Klein, W. Kaim, 1996 .

Specific adsorption of tetraalkylammonium cations at the water∣1,2-dichloroethane interface revisited

V. Mareček, Z. Samec, S. Záliš, 2005 .

Time-Resolved Femtosecond Stimulated Raman Spectra and DFT Anharmonic Vibrational Analysis of an Electronically Excited Rhenium Photosensitizer.

Nils Lenngren, M. Rebarz, S. Záliš, 2020, The journal of physical chemistry. A.

Anharmonicity Effects in IR Spectra of [Re(X)(CO)3(α-diimine)] (α-diimine = 2,2'-bipyridine or pyridylimidazo[1,5-a]pyridine; X = Cl or NCS) Complexes in Ground and Excited Electronic States.

V. Barone, M. Biczysko, S. Záliš, 2015, The journal of physical chemistry. A.

Re and Br X-ray absorption near-edge structure study of the ground and excited states of [ReBr(CO)3(bpy)] interpreted by DFT and TD-DFT calculations.

C. Milne, R. M. van der Veen, A. El Nahhas, 2013, Inorganic chemistry.

Participation of co-ligands in electronic transitions of platinum(II) diazabutadiene complexes.

J. van Slageren, A. Klein, S. Záliš, 2002, Inorganic chemistry.

Electronic Excited States of Tungsten(0) Arylisocyanides.

H. Gray, I. Sazanovich, I. Clark, 2015, Inorganic chemistry.

The d0, d1 and d2 Configuration in Known and Unknown Tetrathiometal Compounds MS4n- (M=Mo,Tc,Ru; W,Re,Os), A Quantum Chemical Study.

E. Baerends, W. Kaim, H. Stoll, 1999 .

Influence of the halogen ligand on the near-UV-visible spectrum of [Ru(X)(Me)(CO)2(α-diimine)] (X = Cl, I; α-diimine = Me-DAB, iPr-DAB; DAB = 1,4-diaza-1,3-butadiene): An ab initio and TD-DFT analysis

C. Daniel, S. Záliš, N. B. Amor, 2004 .

Electronic structure of radical anionic binuclear organoplatinum complexes. A multiple frequency EPR investigation

E. McInnes, A. Klein, S. Záliš, 1998 .

THE SEQUENCE OF LIGAND REDUCTIONS IN HETEROLEPTIC RUTHENIUM-DIIMINE COMPLEXES : CALCULATION OF REDOX POTENTIALS AS A DIAGNOSTIC TOOL

V. Drchal, S. Záliš, A. Vlček, 1995 .

Magnetical and Optical Properties of Nanodiamonds Can Be Tuned by Particles Surface Chemistry: Theoretical and Experimental Study

J. Turánek, M. Ledvina, A. Fišerová, 2014 .

The d(0), d(1) and d(2) Configurations in Known and Unknown Tetrathiometal Compounds MS(4)(n)()(-) (M = Mo, Tc, Ru; W, Re, Os). A Quantum Chemical Study.

E. Baerends, W. Kaim, H. Stoll, 1999, Inorganic chemistry.

Reversible and pH dependent photophysical properties of mixed-ligand Ru(II) complexes containing 2,2′-bipyridine and nitrosobarbiturate: Experimental and theoretical approach

B. Maiti, S. Záliš, L. Mishra, 2013 .

Theoretical study of chromium and nickel-related luminescence centers in molecular-sized nanodiamonds

P. Ashcheulov, A. Kovalenko, I. Kratochvílová, 2015 .

Complementary hydrogen bonding of a carboxylato-barbiturate with urea and acetamide: experimental and theoretical approach.

S. Záliš, L. Mishra, Md. Amin Hasan, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

QuantUIl 1 chell 1 ical interpretation of redox properties of rutheniUIl 1 conlplexes with vinyl and TCNX type non-innocent ligands

W. Kaim, R. Winter, S. Záliš, 2011 .

Singlet diradical complexes of chromium, molybdenum, and tungsten with azo anion radical ligands from M(CO)6 precursors.

W. Kaim, Priti Singh, S. Chatterjee, 2007, Inorganic chemistry.

A five-center redox system: molecular coupling of two noninnocent imino-o-benzoquinonato-ruthenium functions through a pi acceptor bridge.

A. Das, W. Kaim, I. Hartenbach, 2009, Journal of the American Chemical Society.