S. Kahlal

发表

Substituent effect in unsymmetrical lutetium bisphthalocyanines: a DFT analysis

J. Saillard, S. Kahlal, Arnaud Mentec, 2009 .

Theoretical studies of mixed-valence organometallic species for potential utilization as quantum cellular automata

S. Kahlal, Thomas Groizard, J. Halet, 2017 .

Synthesis, characterization and third-order nonlinear optical properties of a dodecaruthenium organometallic dendrimer with a zinc(ii) tetraphenylporphyrin core.

I. Ledoux, M. Humphrey, Mahbod Morshedi, 2018, Dalton transactions.

Nonconventional Supramolecular Self‐Assemblies of Zinc(II)–Salphen Building Blocks

V. Dorcet, Rafael Gramage‐Doria, T. Roisnel, 2016 .

Homodimetallic iron(II) hydrazones: syntheses, spectroscopic, electrochemical, and theoretical investigations. X-Ray crystal structure of both syn- and anti- rotamers of [(η5-Cp)Fe(η6-C6H5)–NHNC(Me)–(η5-C5H4) Fe(η5-Cp)]+PF6−

J. Hamon, P. Hamon, S. Kahlal, 2002 .

Incorporation of a platinum center in the pi-conjugated core of push-pull chromophores for nonlinear optics (NLO).

A. Barsella, J. Saillard, S. Gauthier, 2017, Dalton transactions.

Metal-Catalyzed Azide-Alkyne “Click” Reactions: Mechanistic Overview and Recent Trends

D. Astruc, J. Saillard, S. Kahlal, 2016 .

Dipolar and V-shaped structures incorporating methylenepyran and diazine fragments

J. Saillard, S. Kahlal, F. R. Guen, 2014 .

[Ag7(H){E2P(OR)2}6] (E = Se, S): precursors for the fabrication of silver nanoparticles.

C. Latouche, J. Saillard, Yan-Ru Lin, 2013, Inorganic chemistry.

Molecular brass: Cu₄Zn₄, a ligand protected superatom cluster.

R. Fischer, J. Saillard, C. Gemel, 2014, Chemical communications.

Electron-Precise 1,3-Bishomocubanes – A Combined Experimental and Theoretical Study

S. K. Barik, R. Jagan, Sundargopal Ghosh, 2015 .

A μ9-iodide in a tricapped trigonal-prismatic geometry.

C. Latouche, J. Saillard, Jian‐Hong Liao, 2012, Inorganic chemistry.

Electron-deficient triruthenium and triosmium clusters from the reaction of the cluster anions [HM3(CO)11]− (M=Ru, Os) with tricyclohexylphosphine in methanol

A. Neels, M. Garland, H. Stoeckli-Evans, 1999 .

1,4-Diethynylbenzene-Bridged [Cp*(dppe)Fe]n+ Units: Effect of 2,5-Ethynyl Groups on the Chemical and Electronic Properties

V. Dorcet, T. Roisnel, J. Hamon, 2020, European Journal of Inorganic Chemistry.

All-selenolate-protected eight-electron platinum/silver nanoclusters.

J. Saillard, Jian‐Hong Liao, C. W. Liu, 2021, Nanoscale.

Experimental and Theoretical Evidence of π‐d Interactions in Supramolecular Assemblies Based on TTF‐CH=CH‐Py Ligands Tethered to Mo6Xi8 Octahedral Molybdenum Halide Cluster Cores

S. Cordier, C. Perrin, Y. Molard, 2009 .

Electron-Sponge Behavior, Reactivity and Electronic Structures of Cobalt-Centered Cubic Co9Te6(CO)8 Clusters

H. Cattey, J. Saillard, Alexander Ebner, 2008 .

Synthesis of bis-2H and 4H-chalcogenapyrans and benzochalcogenapyrans via Pd0 catalyzed dimerization of Fischer type carbene complexes: redox properties and electronic structure of these new extended electron rich molecules

Stephen J. Green, S. Roux, J. Saillard, 2007 .

Hypothetical Hypercloso Octahedral M4N2 Clusters: A New Mode of Dinitrogen Coordination?

J. Saillard, S. Kahlal, G. Lucas, 2007 .

The versatility of pentalene coordination to transition metals: a density functional theory investigation.

J. Saillard, K. Costuas, S. Kahlal, 2006, Chemistry.

Reactivity of carbanions of Fischer-type carbene complexes with pyrylium salts. Synthesis and characterization of new γ-methylenepyran carbene complexes via an addition–oxidation–deprotonation process

J. Saillard, S. Kahlal, J. Vaissermann, 2002 .

Push-pull D-π-Ru-π-A chromophores: synthesis and electrochemical, photophysical and second-order nonlinear optical properties.

A. Barsella, J. Saillard, S. Gauthier, 2018, Dalton transactions.

Molecular transition-metal boron compounds. Any interest?

B. L. Guennic, J. Saillard, Sundargopal Ghosh, 2012 .

Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms†

R. Fischer, C. Jandl, J. Saillard, 2021, Chemical science.

Synthesis, structural characterization and transformation of an eight-electron superatomic alloy, [Au@Ag19{S2P(OPr)2}12].

M. Chiang, J. Saillard, Yan-Ru Lin, 2018, Nanoscale.

[Cu13 {S2 CNn Bu2 }6 (acetylide)4 ]+ : A Two-Electron Superatom.

M. Chiang, J. Saillard, Jian‐Hong Liao, 2016, Angewandte Chemie.

Mono- and hexa-palladium doped silver nanoclusters stabilized by dithiolates.

S. K. Barik, M. Chiang, J. Saillard, 2019, Nanoscale.

Heteroatom-Doping Increases Cluster Nuclearity: From an [Ag20 ] to an [Au3 Ag18 ] Core.

M. Chiang, J. Saillard, Jian‐Hong Liao, 2018, Chemistry.

Eight-Electron Silver and Mixed Gold/Silver Nanoclusters Stabilized by Selenium Donor Ligands.

M. Chiang, J. Saillard, Jian‐Hong Liao, 2017, Angewandte Chemie.

Isolation and Structural Elucidation of 15-Nuclear Copper Dihydride Clusters: An Intermediate in the Formation of a Two-Electron Copper Superatom.

J. Saillard, Jian‐Hong Liao, C. W. Liu, 2020, Small.

Ligand-Induced Cuboctahedral versus Icosahedral Core Isomerism within Eight-Electron Heterocyclic-Carbene-Protected Gold Nanoclusters.

J. Saillard, À. Muñoz-Castro, S. Kahlal, 2022, Inorganic chemistry.

A Two‐Electron Silver Superatom Isolated from Thermally Induced Internal Redox Reaction of A Silver(I) Hydride

Che-Jen Lin, J. Saillard, Jian‐Hong Liao, 2021, Angewandte Chemie.

A Two-Electron Silver Superatom Isolated from Thermally Induced Internal Redox Reactions of A Silver(I) Hydride.

Che-Jen Lin, J. Saillard, Jian‐Hong Liao, 2021, Angewandte Chemie.

Contrasting Structure and Bonding of a Copper-Rich and a Zinc-Rich Intermetalloid Cu/Zn Cluster.

T. Fässler, R. Fischer, J. L. D. Da Silva, 2020, Inorganic chemistry.

Hydride-Containing Eight-Electron Pt/Ag Superatoms: Structure, Bonding, and Multi-NMR Studies.

J. Saillard, Jian‐Hong Liao, C. W. Liu, 2022, Journal of the American Chemical Society.

Surface modifications of eight-electron palladium silver superatomic alloys

S. K. Barik, J. Saillard, C. W. Liu, 2022, Communications Chemistry.

Skeletal isomerism in mixed transition-metal/main-group closo clusters

J. Saillard, A. Boucekkine, S. Kahlal, 2005 .

Electron counting and bonding analysis in triruthenium clusters containing sulfoximido ligands: true or false electron-deficient systems?

H. Stoeckli-Evans, G. Süss-Fink, J. Saillard, 2001 .

Molecular Orbital Approach of Skeletal Isomerism and Polyhedral Rearrangements in Some Organometallic Clusters

M. Garland, J. Saillard, S. Kahlal, 1995 .

[Ag21{S2P(OiPr)2}12]+: an eight-electron superatom.

M. Chiang, J. Saillard, Jian‐Hong Liao, 2015, Angewandte Chemie.

[Ag21{S2P(OiPr)2}12] +: An Eight-Electron Superatom.

M. Chiang, J. Saillard, Jian‐Hong Liao, 2015 .

Stable silver(I) hydride complexes supported by diselenophosphate ligands.

Hao-Wei Chang, J. Saillard, C. W. Liu, 2010, Inorganic chemistry.

Polyhydrido Copper Nanoclusters with a Hollow Icosahedral Core: [Cu30H18{E2P(OR)2}12] (E = S or Se; R = n Pr, i Pr or i Bu).

S. K. Barik, J. Saillard, Jian‐Hong Liao, 2020, Chemistry.

Reactions of M(CCCCR)(CO)3Cp [M=Mo, W; R=H, Fe(CO)2Cp, M(CO)3Cp] with cobalt carbonyls: X-ray structures of {Cp(OC)8Co2M(μ3-C)}CC{(μ3-C)Co2M′(CO)8Cp} (M=M′=Mo, W; M=Mo, M′=W)

P. Low, B. Skelton, A. White, 1999 .

Diferrocenylpyrylium salts and electron rich bispyran from oxidative coupling of ferrocenylpyran. Example of redox systems switched by proton transfer

J. Saillard, S. Kahlal, S. Golhen, 2013 .

Bonding analysis in ytterbium(II) distannyl and related tetryls.

J. Saillard, J. Carpentier, S. Kahlal, 2021, Dalton transactions.

[(Cp−CMe2−Flu)2Ln]-[Li(ether)n]+ (Ln = Y, La): Complexes with Unusual Coordination Modes of the Fluorenyl Ligand and the First Examples of Bis-Ansa Lanthanidocenes

J. Saillard, L. Toupet, A. Razavi, 2003 .

Nickel(II)-Based Building Blocks with Schiff Base Derivatives: Experimental Insights and DFT Calculations

T. Roisnel, J. Saillard, J. Hamon, 2021, Molecules.

Redox-switching of ternary Ni(ii) and Cu(ii) complexes: synthesis, experimental and theoretical studies along with second-order nonlinear optical properties

V. Dorcet, T. Roisnel, I. Ledoux-Rak, 2019, New Journal of Chemistry.

Novel Co(II), Ni(II) and Cu(II) complexes involving a 2-thienyl and trifluoromethyl containing symmetrically-substituted tetradentate Schiff-base ligand: Syntheses, structures, electrochemical and computational studies

R. Córdova, T. Roisnel, J. Saillard, 2018, Polyhedron.

Four-coordinate nickel(II) and copper(II) complex based ONO tridentate Schiff base ligands: synthesis, molecular structure, electrochemical, linear and nonlinear properties, and computational study.

T. Roisnel, I. Ledoux-Rak, J. Saillard, 2015, Dalton transactions.

Thermochromic luminescence of copper iodide clusters: the case of phosphine ligands.

J. Boilot, T. Gacoin, S. Perruchas, 2011, Inorganic chemistry.

Octahedral bis(2-thenoyltrifluoroacetonato)-ethylenediamine Co(II), Ni(II) and Cu(II) complexes: Synthetic, structural, electrochemical, and theoretical studies ☆

R. Córdova, T. Roisnel, J. Saillard, 2018 .

Synthesis, structures, electrochemical and quantum chemical investigations of Ni(II) and Cu(II) complexes with a tetradentate Schiff base derived from 1-(2-thienyl)-1,3-butanedione

M. D. Valle, T. Roisnel, J. Saillard, 2018 .

Spectroscopic, structural, electrochemical and computational studies of some new 2-thienyl-containing β-diketonate complexes of cobalt(II), nickel(II) and copper(II)

R. Córdova, T. Roisnel, J. Saillard, 2017 .

Improvement of the quadratic non-linear optical properties of pyrimidine chromophores by N-methylation and tungsten pentacarbonyl complexation

A. Barsella, J. Saillard, S. Kahlal, 2015 .

Anion encapsulation and geometric changes in hepta- and hexanuclear copper(I) dichalcogeno clusters: a theoretical and experimental investigation.

E. Furet, C. Latouche, J. Saillard, 2013, Inorganic chemistry.

Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster

Jyhfu Lee, M. Chiang, J. Saillard, 2018, Chemical science.

An eleven-vertex deltahedron with hexacapped trigonal bipyramidal geometry.

J. Saillard, C. W. Liu, S. Kahlal, 2011, Chemical communications.

Synthesis, photophysics, electrochemistry, theoretical, and transient absorption studies of luminescent copper(I) and silver(I) diynyl complexes. X-ray crystal structures of [Cu3(micro-dppm)3(micro3-eta1-C triple bond CC triple bond CPh)2]PF6 and [Cu3(micro-dppm)3(micro3-eta1-C triple bond CC triple

B. le Guennic, V. Yam, C. Lam, 2004, Journal of the American Chemical Society.

N^N^C platinum (II) complexes based on phenyl-pyridin-2-ylpyrimidine ligands: synthesis, electrochemical and photophysical properties

J. Saillard, S. Gauthier, S. Kahlal, 2021 .

Cyclometallated 2‐Phenylpyrimidine Derived Platinum Complexes: Synthesis and Photophysical Properties

T. Roisnel, J. Saillard, S. Gauthier, 2021 .

A Sulfide (Selenide)-Centered Nonanuclear Silver Cluster: A Distorted and Flexible Tricapped Trigonal Prismatic Ag9 Framework

Hao-Wei Chang, J. Saillard, Jian‐Hong Liao, 2017, Journal of Cluster Science.

1,2 and 1,6 Additions of Lithium Reagents to γ‐Methylenepyran Fischer‐Type Carbene Complexes; Evolution of the 1,2 and 1,6 Adducts to Unsaturated Carbene Complexes Indirectly Stabilized by a Heteroatom, and to Pyranylidene Carbene Complexes

J. Saillard, S. Kahlal, S. Golhen, 2000 .

Encapsulating Iodine and Copper into Copper(I) Clusters Stabilized by Dichalcogenolate Ligands: Stability, Structure, and Optical Properties.

V. Barone, C. Latouche, J. Saillard, 2017, Inorganic chemistry.

Shape modulation of octanuclear Cu(I) or Ag(I) dichalcogeno template clusters with respect to the nature of their encapsulated anions: a combined theoretical and experimental investigation.

J. Cuny, C. Latouche, J. Saillard, 2013, Inorganic chemistry.

Thermally induced inter-ring haptotropic rearrangements in π-complexes of molybdenum with nitrogen containing polyaromatic heterocycles: A DFT study

J. Saillard, Y. Oprunenko, I. Gloriozov, 2017 .

DFT study of dihydrogen addition to molybdenum π-heteroaromatic complexes: a prerequisite step for the catalytic hydrodenitrogenation process

J. Saillard, Y. Oprunenko, I. Gloriozov, 2015 .

Influence of Ion Pairing in Inter-Ring Haptotropic Rearrangements in Cationic Cyclopentadienyl Complexes of Ruthenium with Naphthalene: A DFT Investigation

J. Saillard, Y. Oprunenko, I. Gloriozov, 2013 .

Metal⋅⋅⋅F-C Bonding in Low-Coordinate Alkaline Earth Fluoroarylamides.

V. Dorcet, T. Roisnel, J. Saillard, 2019, Chemistry.

Complexation of the (η5-Cp)Ru+ and (η5-Cp*)Ru+ Arenophiles on Alkynylnaphthalene: Solvent Effect on the Regioselectivity and the Haptotropic Rearrangement

V. Dorcet, J. Hamon, S. Kahlal, 2014 .

Proton-Controlled Regioselective Synthesis of [Cp*(dppe)Fe–C≡C-1-(η6-C10H7)Ru(η5-Cp](PF6) and Electron-Driven Haptotropic Rearrangement of the (η5-Cp)Ru+ Arenophile

V. Dorcet, T. Roisnel, J. Hamon, 2014 .

Haptotropic shifts in mononuclear complexes of substituted pentalenes: A DFT investigation of the [C

B. Maouche, J. Saillard, S. Kahlal, 2011 .

Hydrido copper clusters supported by dithiocarbamates: oxidative hydride removal and neutron diffraction analysis of [Cu7(H){S2C(aza-15-crown-5)}6].

A. Edwards, J. Saillard, C. W. Liu, 2012, Inorganic chemistry.

A nanospheric polyhydrido copper cluster of elongated triangular orthobicupola array: liberation of H2 from solar energy.

J. Saillard, Yan-Ru Lin, Jian‐Hong Liao, 2013, Journal of the American Chemical Society.

Diselenophosphate-Induced Conversion of an Achiral [Cu20H11{S2P(OiPr)2}9] into a Chiral [Cu20H11{Se2P(OiPr)2}9] Polyhydrido Nanocluster.

M. Chiang, Xiaoping Wang, J. Saillard, 2015, Angewandte Chemie.

Neutron diffraction studies of a four-coordinated hydride in near square-planar geometry.

Xiaoping Wang, J. Saillard, Jian‐Hong Liao, 2014, Inorganic chemistry.

A DFT investigation of some (formally) redox isomerization reactions of bis(pentalenyl)iron and bis(azulenyl)iron

B. Maouche, J. Saillard, S. Kahlal, 2015 .

Barium siloxides and catalysed formation of Si-O-Si' motifs.

V. Dorcet, T. Roisnel, J. Saillard, 2019, Chemistry.

Metal–metal bonded alkaline-earth distannyls†

J. Saillard, J. Carpentier, S. Kahlal, 2021, Chemical science.

Capping considerations in main-group/transition-metal clusters: synthetic, structural, and theoretical discussions of [E2Co4(CO)10(.mu.-CO)-/2- (E = Sb, Bi)

T. A. Albright, J. Saillard, S. Kahlal, 1991 .

Structures and Stabilities of Small, Ligated AlnLn0/2– and AlnLn+2 Clusters (L = H, Cl) – A Theoretical Study

C. Pouchan, G. Manca, J. Saillard, 2012 .

On the Electronic Structure of Organometallic Palladium Clusters of Medium and Large Size: A Theoretical Study

G. Manca, J. Saillard, S. Kahlal, 2014, Journal of Cluster Science.

Rare Earth Metal Boron Carbide MBC Compounds Containing Monodimensional Branched Zigzag Chains of non-metal Atoms: Theoretical Aspects

P. Rogl, J. Saillard, S. Kahlal, 1995 .

A twelve-coordinated iodide in a cuboctahedral silver(I) skeleton.

C. Latouche, J. Saillard, Jian‐Hong Liao, 2014, Inorganic chemistry.

Geometry flexibility of copper iodide clusters: variability in luminescence thermochromism.

J. Boilot, T. Gacoin, S. Perruchas, 2015, Inorganic chemistry.

[Cu32 (H)20 {S2 P(OiPr)2 }12 ]: The Largest Number of Hydrides Recorded in a Molecular Nanocluster by Neutron Diffraction.

M. Chiang, J. Saillard, Jian‐Hong Liao, 2015, Chemistry.

Polymorphic copper iodide clusters: insights into the mechanochromic luminescence properties.

F. Taulelle, J. Boilot, T. Gacoin, 2014, Journal of the American Chemical Society.

Crystal Structure, Photophysical Properties, and Theoretical Investigation of Extremely Distorted Pentacapped Trigonal-Prismatic Undecasilver Clusters

Hao-Wei Chang, J. Saillard, C. W. Liu, 2011 .

Ag13-Centered Cuboctahedral Architecture in Inorganic Cluster Chemistry: A DFT Investigation.

J. Saillard, C. W. Liu, S. Kahlal, 2017, Inorganic chemistry.

Evaluation of Ligands Effect on the Photophysical Properties of Copper Iodide Clusters.

T. Gacoin, F. Fayon, F. Massuyeau, 2018, Inorganic chemistry.

Cluster Growth Reactions with Selenido-Carbonyl Clusters − Synthesis, Characterisation and Theoretical Study of the Dimetallic closo Clusters [WRu3(μ4-Se)2(μ-CO)4(CO)6(L)2] (L = Phosphane) and of the Donor-Acceptor Adduct [(CO)5W(μ4-Se)Ru3(μ3-Se)(CO)7{P(CH2Ph)Ph2}2]

C. Graiff, J. Saillard, S. Kahlal, 2004 .

On Heteronuclear Isoelectronic Alternatives to [Au13(dppe)5Cl2]3+: Electronic and Optical Properties of the 18-Electron Os@[Au12(dppe)5Cl2] Cluster from Relativistic Density Functional Theory Computations.

J. Saillard, P. L. Rodríguez‐Kessler, À. Muñoz-Castro, 2021, Inorganic chemistry.

Toward the Formation of N-Heterocyclic-Carbene-Protected Gold Clusters of Various Nuclearities. A Comparison with Their Phosphine-Protected Analogues from Density Functional Theory Calculations.

J. Saillard, À. Muñoz-Castro, S. Kahlal, 2020, Inorganic chemistry.

Syntheses and reactions of some cluster complexes containing C4 ligands with iron, ruthenium and cobalt carbonyls

P. Low, B. Skelton, A. White, 2000 .

Bonding analysis of electron-rich bridged mixed main-group/transition metal tetrahedral M2E2 organometallic clusters

J. Saillard, S. Kahlal, J. Halet, 1994 .

A MOLECULAR ORBITAL INVESTIGATION OF THE DIAMAGNETISM AND STABILITY OF TRIANGULAR 50-ELECTRON M3LN CLUSTERS

M. Garland, J. Saillard, K. Costuas, 1999 .

Theoretical and Experimental Investigations on Hypoelectronic Heterodimetallaboranes of Group 6 Transition Metals

T. Roisnel, P. Hamon, Sundargopal Ghosh, 2012 .

A combined experimental and theoretical study of bimetallic bis- and tris-homocubane analogues

T. Roisnel, Sundargopal Ghosh, S. Kahlal, 2020 .

Small Ligated Organometallic $${{\hbox {Pd}}}_{n}$$Pdn Clusters ($$n= 4{-}12$$n=4-12): A DFT Investigation

G. Manca, J. Saillard, S. Kahlal, 2017 .

Electron Counting in Ligated High Nuclearity Late Transition Metal Clusters

J. Saillard, S. Kahlal, J. Halet, 2021 .

Theoretical and Structural Analysis of the Unsymmetrical Bridging Coordination Mode of the Nonconical PNR2 Ligands in Ru4(CO)12(μ4-PNR2)2 Clusters

L. Scoles, K. Udachin, J. Saillard, 2000 .

From 8- to 18-Cluster Electrons Superatoms: Evaluation via DFT Calculations of the Ligand-Protected W@Au12(dppm)6 Cluster Displaying Distinctive Electronic and Optical Properties.

J. Saillard, À. Muñoz-Castro, S. Kahlal, 2023, Inorganic chemistry.

Molecular orbital analysis of the metal–hydrazide(2–) bonding in co-ordination chemistry†

J. Saillard, J. Hamon, S. Kahlal, 1998 .

Synthesis of Two-Electron Bimetallic Cu-Ag and Cu-Au Clusters by using [Cu13 (S2 CNn Bu2 )6 (C≡CPh)4 ]+ as a Template.

M. Chiang, J. Saillard, Jian‐Hong Liao, 2018, Chemistry, an Asian journal.

Chinese puzzle molecule: a 15 hydride, 28 copper atom nanoball.

R. Piltz, M. Chiang, A. Edwards, 2014, Angewandte Chemie.

Potential to stabilize 16-vertex tetrahedral coinage-metal cluster architectures related to Au20.

J. Saillard, R. Arratia-Pérez, À. Muñoz-Castro, 2019, Physical chemistry chemical physics : PCCP.

Diborane(6) and Its Analogues Stabilized by Mono-, Bi-, and Trinuclear Group 7 Templates: Combined Experimental and Theoretical Studies.

T. Roisnel, A. Pradhan, Sundargopal Ghosh, 2020, Inorganic chemistry.

Electron count and electronic structure of bare icosahedral Au32 and Au33 ionic nanoclusters and ligated derivatives. Stable models with intermediate superatomic shell fillings.

J. Saillard, À. Muñoz-Castro, S. Kahlal, 2020, Physical chemistry chemical physics : PCCP.

Theoretical analysis of the Mackay icosahedral cluster Pd55(PiPr3)12(μ3-CO)20: An open-shell 20-electron superatom.

D. Astruc, J. Saillard, S. Kahlal, 2020, Chemistry.

Stabilizing heteroatom‐centered 16‐vertex group 11 tetrahedral architectures: Bonding and structural considerations toward versatile endohedral species

J. Saillard, R. Arratia-Pérez, À. Muñoz-Castro, 2019, International Journal of Quantum Chemistry.

Coinage Metal Superatomic Cores: Insights into Their Intrinsic Stability and Optical Properties from Relativistic DFT Calculations.

J. Saillard, C. W. Liu, R. Arratia-Pérez, 2017, Chemistry.

Octanuclear copper(I) clusters inscribed in a Se(12) icosahedron: anion-induced modulation of the core size and symmetry.

J. Saillard, C. W. Liu, S. Kahlal, 2009, Journal of the American Chemical Society.

Electron counting and bonding patterns in assemblies of three and more silver-rich superatoms.

J. Saillard, C. W. Liu, S. Kahlal, 2020, Nanoscale.

Electron Counting in Carbaalane Clusters with Cubic Aluminum Core

B. Creton, M. Garland, Zhenyang Lin, 2007 .

Non-covalent interactions in hexanuclear polyoxidometalates [VIV6B20O50H8]8-. An experimental and theoretical approach

K. Muñoz-Becerra, V. Paredes-García, D. Venegas‐Yazigi, 2021, Polyhedron.

Intercluster exchanges leading to hydride-centered bimetallic clusters: a multi-NMR, X-ray crystallographic, and DFT study.

J. Saillard, Jian‐Hong Liao, C. W. Liu, 2021, Dalton transactions.

Hydride-encapsulated bimetallic clusters supported by 1,1-dithiolates.

J. Saillard, Jian‐Hong Liao, C. W. Liu, 2020, Chemical communications.

Electronic structure and metal–metal communication in (CpM)2(as-indacene) and (CpM)2(s-indacene) (M = Mn, Fe, Co, Ni) complexes: a DFT investigation

D. M. Carey, M. Garland, J. Saillard, 2011 .

Electroswitchable photoluminescence activity: Synthesis, spectroscopy, electrochemistry, photophysics, and X-ray crystal and electronic structures of[Re(bpy)(CO)3(C≡C-C6H4-C≡C)Fe(C5Me5)(dppe)][PF6]n (n = 0, 1)

V. Yam, C. Ko, K. Costuas, 2003 .

Electronic, geometrical, and thermochemical studies on group-14 element-diruthenaborane cluster compounds: a theoretical investigation

Sundargopal Ghosh, S. Kahlal, J. Halet, 2013, Theoretical Chemistry Accounts.

Synthesis and characterization of hypoelectronic tantalaboranes: comparison of the geometric and electronic structures of [(Cp*TaX)2B5H11] (X = Cl, Br, and I).

S. Mobin, Sundargopal Ghosh, S. Kahlal, 2012, Inorganic chemistry.

Structural Diversity Within the Series of 68-Electron M4LnE2 (L = 2-Electron Ligand; M = Fe, Ru, Os, Co; E = CH, N, P, NR, PR, S) Organometallic Clusters: A Theoretical Investigation

J. Saillard, A. Boucekkine, S. Kahlal, 2012, Journal of Cluster Science.

Reactions of nickelocene with an Ru5 cluster: crystal structures of two nickel–ruthenium clusters containing C2 ligands

B. Skelton, A. White, C. Adams, 2001 .

Synthesis and characterization of hypoelectronic rhenaboranes. Analysis of the geometric and electronic structures of species following neither borane nor metal cluster electron-counting paradigms.

T. Fehlner, A. Beatty, B. le Guennic, 2004, Journal of the American Chemical Society.

Homoleptic Platinum/Silver Superatoms Protected by Dithiolates: Linear Assemblies of Two and Three Centered Icosahedra Isolobal to Ne2 and I3.

J. Saillard, Jian‐Hong Liao, C. W. Liu, 2019, Journal of the American Chemical Society.

Copper Clusters Containing Hydrides in Trigonal Pyramidal Geometry.

J. Saillard, Jian‐Hong Liao, C. W. Liu, 2020, Inorganic chemistry.

Embryonic brass: pseudo two electron Cu/Zn clusters† †Electronic supplementary information (ESI) available: CCDC 1854851 and 1854852. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c8sc03902j

R. Fischer, J. Saillard, A. Pöthig, 2018, Chemical science.

Bonding in Barium Boryloxides, Siloxides, Phenoxides and Silazides. A comparison with the lighter alkaline earths.

V. Dorcet, T. Roisnel, J. Saillard, 2021, Chemistry.

Bonding analysis of transition metal NNR end-on complexes and comparison with isoelectronic NNR2 species

J. Saillard, J. Hamon, S. Kahlal, 2001 .

Doping effect on the structure and properties of eight-electron silver nanoclusters.

J. Saillard, Jian‐Hong Liao, C. W. Liu, 2021, The Journal of chemical physics.

Elucidating the Electronic Structure of the Ligated Cuboctahedral Palladium Cluster [Pd13(μ4-C7H7)6]2+

J. Saillard, S. Kahlal, J. Halet, 2019, Journal of Cluster Science.

Synthesis of Bimetallic Copper-Rich Nanoclusters Encapsulating a Linear Palladium Dihydride Unit.

M. Chiang, J. Saillard, C. W. Liu, 2019, Angewandte Chemie.

Synthesis of Bimetallic Copper‐Rich Nanoclusters Encapsulating a Linear Palladium Dihydride Unit

M. Chiang, J. Saillard, C. W. Liu, 2019, Angewandte Chemie.

Identification of an Eight-Electron Superatomic Cluster and Its Alloy in One Co-crystal Structure

M. Chiang, J. Saillard, Jian‐Hong Liao, 2018, Journal of Cluster Science.

Incorporation of a ferrocene unit in the π-conjugated structure of donor-linker-acceptor (D-π-A) chromophores for nonlinear optics (NLO)

A. Barsella, J. Saillard, S. Gauthier, 2018, Dyes and Pigments.

Organometallics as Potential Protein Labels: Pyrylium and Pyridinium Salts Bearing (C6H5)Cr(CO)3, (C5H4)Mn(CO)3, and Ferrocenyl Substituents

K. Malisza, S. Top, J. Saillard, 1995 .

Synthesis, chemistry, DFT calculations, and ROMP activity of monomeric benzylidene complexes containing a chelating diphosphine and of four generations of metallodendritic analogues. Positive and negative dendritic effects and formation of dendritic ruthenium-polynorbornene stars

É. Cloutet, D. Astruc, J. Saillard, 2004 .

Reaction mechanisms of transition-metal-catalyzed azide–alkyne cycloaddition “click” reactions: A DFT investigation

Jean-Yves Saillard, Changlong Wang, Boubekeur Maouche, 2015 .

Superatom Pruning by Diphosphine Ligands as a Chemical Scissor.

J. Saillard, C. W. Liu, S. Kahlal, 2023, Inorganic chemistry.

Symmetry lowering by cage doping in spherical superatoms: Evaluation of electronic and optical properties of 18-electron W@Au12Ptn(n = 0-4) superatomic clusters from relativistic DFT calculations

J. Saillard, À. Muñoz-Castro, S. Kahlal, 2018, International Journal of Quantum Chemistry.

Looking at platinum carbonyl nanoclusters as superatoms.

D. Astruc, J. Saillard, S. Kahlal, 2022, Nanoscale.

Electronic structure of layered MB2C rare-earth borocarbide compounds

P. Rogl, J. Saillard, S. Kahlal, 1994 .

How do nitriles compare with isoelectronic alkynyl groups in the electronic communication between iron centers bridged by phenylenebis- and -tris(nitrile) ligands? An electronic and crystal-structure study.

D. Astruc, C. Ornelas, T. Roisnel, 2011, Inorganic chemistry.

Atom-Precise Organometallic Zinc Clusters.

R. Fischer, R. Gautier, J. Saillard, 2016, Angewandte Chemie.

Amphiprotism-coupled NIR-Emission in Extended Pyrazinacenes containing Seven Linearly-fused Pyrazine Units.

F. D’Souza, K. Ariga, Jonathan P. Hill, 2019, Journal of the American Chemical Society.

[Ag20 {S2 P(OR)2 }12 ]: A Superatom Complex with a Chiral Metallic Core and High Potential for Isomerism.

M. Chiang, J. Saillard, Yan-Ru Lin, 2016, Chemistry.

New ferrocenyl-chalcones and bichalcones: Synthesis and characterization

J. Saillard, S. Kahlal, J. C. Santos, 2017 .

Synthesis, characterization, structural and theoretical analysis of a series of electron deficient, monomeric thallium iron carbonylate isostructural and isolobal to diiron nonacarbonyl

J. Saillard, S. Kahlal, K. Whitmire, 2000 .

Bis(imino)carbazolate: a master key for barium chemistry.

V. Dorcet, T. Roisnel, J. Saillard, 2020, Angewandte Chemie.

A Two-Electron Superatom

J. Saillard, S. Kahlal, Yu-Chiao Liu, 2018 .

The Mackay-Type Cluster [Cu43 Al12 ](Cp*)12 : Open-Shell 67-Electron Superatom with Emerging Metal-Like Electronic Structure.

R. Fischer, J. L. D. Da Silva, J. Saillard, 2018, Angewandte Chemie.

On the structure and fluxionality of mononuclear complexes of naphthalene: A DFT investigation of (naphthalene)MCp (M = Sc, V, Mn, Fe, Ni) and related complexes

B. Maouche, J. Saillard, S. Kahlal, 2012 .

Bonding and electronic structure of Cp*2Ru2(B8H14), a metallaborane analogue of dinuclear pentalene complexes

J. Saillard, Sundargopal Ghosh, S. Kahlal, 2012 .

Zwitterionic Mixed-Valence Species for the Design of Neutral Clocked Molecular Quantum-Dot Cellular Automata.

S. Kahlal, Thomas Groizard, J. Halet, 2020, Inorganic chemistry.

1IL and 3MLCT excited states modulated by H+: the structure and photophysical properties of [(2-bromo-5-(1H-pyrazol-1-yl)pyrazine)Re(CO)3Br]

A. Vega, N. Pizarro, J. Saillard, 2019, New Journal of Chemistry.

Hydride Doping Effects on the Structure and Properties of Eight-Electron Rh/Ag Superatoms: The [RhHx@Ag21-x{S2P(OnPr)2}12] (x = 0-2) Series.

Jing Chen, J. Saillard, C. W. Liu, 2023, Journal of the American Chemical Society.

Hydride-containing 2-Electron Pd/Cu Superatoms as Catalysts for Efficient Electrochemical Hydrogen Evolution.

Dongil Lee, Chenwei Liu, J. Saillard, 2023, Angewandte Chemie.

Monocarboxylate-protected two-electron superatomic silver nanoclusters with high photothermal conversion performance.

F. Rouhani, A. Morsali, J. Saillard, 2023, Nanoscale.

Design, synthesis, solid-state and solution structures, non linear optical and computational studies of copper(II) complexes supported by variously substituted enantiomerically pure push-pull tetradentate Schiff base ligands

I. Ledoux-Rak, J. Saillard, J. Hamon, 2023, Journal of Molecular Structure.

Experimental and Theoretical Evaluation of Four NLO‐Active Divalent Transition Metal Complexes Supported by an Enantiomerically Pure Tetradentate Schiff Base Ligand

I. Ledoux-Rak, J. Saillard, J. Hamon, 2022, European Journal of Inorganic Chemistry.

Ferrocene functionalized enantiomerically pure Schiff bases and their Zn(II) and Pd(II) complexes : a spectroscopic, crystallographic, electrochemical and computational investigation

J. Saillard, J. Hamon, P. Hamon, 2022, New Journal of Chemistry.

Electronic structure and metal–metal communication in (CpM)2(as-indacene) and (CpM)2(s-indacene) (M = Mn, Fe, Co, Ni) complexes: a DFT investigation

D. M. Carey, M. Garland, J. Saillard, 2011 .

Luminescent cyclometalated alkynylplatinum(II) complexes with 1,3-di(pyrimidin-2-yl)benzene ligands: synthesis, electrochemistry, photophysics and computational studies.

J. Saillard, S. Gauthier, S. Kahlal, 2022, Dalton transactions.

Reactivities of Interstitial Hydrides in a Cu11 Template: En Route to Bimetallic Clusters.

J. Saillard, C. W. Liu, S. Kahlal, 2021, Angewandte Chemie.

Haptotropic Rearrangements in Sandwich (Fluorenyl)(Cyclopentadienyl) Iron and Ruthenium Complexes

T. Roisnel, J. Saillard, J. Carpentier, 2008 .

Insight Into the Stability and Electronic and Optical Properties of N-Heterocyclic Carbene Analogues of Halogen/Phosphine-Protected Au13 Superatomic Clusters.

J. Saillard, À. Muñoz-Castro, S. Kahlal, 2022, The journal of physical chemistry. A.

C−H and Si−H Activation Reactions at Ru/Ga Complexes: A Combined Experimental and Theoretical Case Study on the Ru−Ga Bond

C. Jandl, J. Saillard, C. Gemel, 2022, Chemistry.

Metal-Metal Bonding in Late Transition-Metal [M2L5] Complexes: Exploring the Limits of the Isolobal Analogy between the CO and AlCp* Ligands.

C. Jandl, J. Saillard, C. Gemel, 2023, Inorganic Chemistry.

All-Hydrocarbon-Ligated Superatomic Gold/Aluminum Clusters

J. Saillard, C. Gemel, S. Kahlal, 2024, Inorganic chemistry.

The Mackay-Type Cluster [Cu43 Al12 ](Cp*)12 : Open-Shell 67-Electron Superatom with Emerging Metal-Like Electronic Structure.

J. L. D. Da Silva, J. Saillard, C. Gemel, 2018, Angewandte Chemie.