L. Ungur

发表

A polynuclear lanthanide single-molecule magnet with a record anisotropic barrier.

W. Wernsdorfer, L. Chibotaru, Po-Heng Lin, 2009, Angewandte Chemie.

Strong axiality and Ising exchange interaction suppress zero-field tunneling of magnetization of an asymmetric Dy2 single-molecule magnet.

W. Wernsdorfer, A. Powell, L. Chibotaru, 2011, Journal of the American Chemical Society.

Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets

W. Wernsdorfer, A. Powell, V. Moshchalkov, 2012 .

Coupling Dy3 triangles to maximize the toroidal moment.

W. Wernsdorfer, A. Powell, L. Chibotaru, 2012, Angewandte Chemie.

Magnetic relaxation pathways in lanthanide single-molecule magnets.

Liviu F Chibotaru, Liviu Ungur, Floriana Tuna, 2013, Nature chemistry.

Interplay of strongly anisotropic metal ions in magnetic blocking of complexes.

Liviu F Chibotaru, Liviu Ungur, Wolfgang Wernsdorfer, 2013, Inorganic chemistry.

Relaxations in heterolanthanide dinuclear single-molecule magnets.

Fu-Sheng Guo, M. Tong, Yan‐Zhen Zheng, 2013, Chemical communications.

A Catalyst with Two‐Coordinate Nickel: Theoretical and Catalytic Studies

G. Sheldrick, E. Carl, H. Roesky, 2014 .

Magnetization Blocking in Fe2 III Dy2 III Molecular Magnets: Ab Initio Calculations and EPR Spectroscopy.

A. Powell, L. Chibotaru, C. Anson, 2018, Chemistry.

Modern quantum chemistry with [Open]Molcas.

Mickaël G. Delcey, P. Malmqvist, M. Vacher, 2020, The Journal of chemical physics.

Pursuit of Record Breaking Energy Barriers: A Study of Magnetic Axiality in Diamide Ligated DyIII Single-Molecule Magnets.

Jonathan L. Brosmer, L. Ungur, M. Murugesu, 2017, Journal of the American Chemical Society.

Zeeman interaction and Jahn-Teller effect in the Γ8 multiplet

L. Chibotaru, L. Ungur, Veacheslav Vieru, 2017, 1705.10734.

The first {Dy4} single-molecule magnet with a toroidal magnetic moment in the ground state.

Fu-Sheng Guo, M. Tong, Jun‐Liang Liu, 2012, Inorganic chemistry.

Deriving the vibronic coupling constants of the cyclopentadienyl radical with density functional theory and G0W0.

L. Ungur, Z. C. Wong, 2020, The Journal of chemical physics.

Coexistence of spin-lattice relaxation and phonon-bottleneck processes in Gd(III)-phthlocyaninato triple-decker complexes under highly diluted conditions.

M. Yamashita, W. Wernsdorfer, L. Chibotaru, 2020, Chemistry.

Coupling strategies to enhance single-molecule magnet properties of erbium-cyclooctatetraenyl complexes.

L. Chibotaru, L. Ungur, M. Murugesu, 2014, Journal of the American Chemical Society.

Structure, magnetism and theory of a family of nonanuclear Cu(II)5Ln(III)4-triethanolamine clusters displaying single-molecule magnet behaviour.

L. Chibotaru, K. Murray, B. Moubaraki, 2011, Chemistry.

Comparison of two field-induced ErIII single ion magnets.

H. Müller‐Bunz, J. D. Gordon, D. Zerulla, 2019, Dalton transactions.

Ab Initio Crystal Field for Lanthanides.

L. Chibotaru, L. Ungur, 2017, Chemistry.

By design: a macrocyclic 3d-4f single-molecule magnet with quantifiable zero-field slow relaxation of magnetization.

A. Powell, R. Clérac, L. Chibotaru, 2013, Inorganic chemistry.

Synthesis, structure, magnetism and theoretical study of a series of complexes with a decanuclear core [Ln(III)2Cu(II)8] (Ln = Y, Gd, Tb, Dy)

W. Wernsdorfer, L. Chibotaru, E. Jeanneau, 2011 .

Observation of unusual slow-relaxation of the magnetisation in a Gd-EDTA chelate.

L. Chibotaru, L. Ungur, M. Murugesu, 2015, Dalton transactions.

Multitechnique investigation of Dy3 – implications for coupled lanthanide clusters† †Electronic supplementary information (ESI) available: Computational details and extended results. Further experimental results. See DOI: 10.1039/c6sc00318d

A. Powell, L. Chibotaru, P. Neugebauer, 2016, Chemical science.

A spectroscopic investigation of magnetic exchange between highly anisotropic spin centers.

R. Mole, E. McInnes, A. Barra, 2011, Angewandte Chemie.

Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Investigation of a New Series of NiII-LnIII-WV Heterotrimetallics: Understanding the SMM Behavior of Mixed Polynuclear Complexes.

C. Duhayon, J. Sutter, L. Chibotaru, 2016, Inorganic chemistry.

Magnetic anisotropy of CoII–WV ferromagnet: single crystal and ab initio study

L. Chibotaru, W. Nitek, L. Ungur, 2013 .

An organometallic building block approach to produce a multidecker 4f single-molecule magnet.

L. Chibotaru, L. Ungur, M. Murugesu, 2013, Journal of the American Chemical Society.

Strategies toward High-Temperature Lanthanide-Based Single-Molecule Magnets.

L. Chibotaru, L. Ungur, 2016, Inorganic chemistry.

Symmetry-Supported Magnetic Blocking at 20 K in Pentagonal Bipyramidal Dy(III) Single-Ion Magnets.

Jiang Liu, Xiao‐Ming Chen, M. Tong, 2016, Journal of the American Chemical Society.

Gold-Catalyzed Post-Ugi Ipso-Cyclization with Switchable Diastereoselectivity.

Vsevolod A. Peshkov, E. V. Van der Eycken, S. Kashtanov, 2018, The Journal of organic chemistry.

Heterometallic tetranuclear [Ln(III)2Co(III)2] complexes including suppression of quantum tunneling of magnetization in the [Dy(III)2Co(III)2] single molecule magnet.

L. Chibotaru, K. Murray, B. Moubaraki, 2012, Inorganic chemistry.

A high anisotropy barrier in a sulfur-bridged organodysprosium single-molecule magnet.

F. Tuna, E. McInnes, L. Chibotaru, 2012, Angewandte Chemie.

Strong ferromagnetic exchange coupling in a {Ni} cluster mediated through an air-stable tetrazine-based radical anion.

L. Ungur, M. Murugesu, G. Brunet, 2017, Chemical communications.

First heterotrimetallic {3 d-4 d-4 f} single chain magnet, constructed from anisotropic high-spin heterometallic nodes and paramagnetic spacers.

C. Duhayon, J. Sutter, L. Chibotaru, 2009, Chemistry.

Single-molecule toroics in Ising-type lanthanide molecular clusters.

L. Chibotaru, Jinkui Tang, Shuang-Yan Lin, 2014, Chemical Society reviews.

Coexistence of distinct single-ion and exchange-based mechanisms for blocking of magnetization in a Co(II)2Dy(III)2 single-molecule magnet.

A. Powell, L. Chibotaru, K. Mondal, 2012, Angewandte Chemie.

From a Dy(III) single molecule magnet (SMM) to a ferromagnetic [Mn(II)Dy(III)Mn(II)] trinuclear complex.

A. Powell, F. Menges, L. Chibotaru, 2012, Inorganic chemistry.

An octanuclear [Cr(III)4Dy(III)4] 3d-4f single-molecule magnet.

W. Wernsdorfer, A. Powell, L. Chibotaru, 2010, Angewandte Chemie.

Synthesis and magnetic properties of a new family of macrocyclic M(II)3Ln(III) complexes: insights into the effect of subtle chemical modification on single-molecule magnet behavior.

A. Powell, R. Clérac, L. Chibotaru, 2012, Inorganic chemistry.

Electronic structure and slow magnetic relaxation of low-coordinate cyclic alkyl(amino) carbene stabilized iron(I) complexes.

Dietmar Stalke, Liviu F Chibotaru, Liviu Ungur, 2014, Journal of the American Chemical Society.

An NCN-pincer ligand dysprosium single-ion magnet showing magnetic relaxation via the second excited state

G. Granroth, A. Powell, S. Nagler, 2014, Scientific Reports.

Single Crystal Investigations Unravel the Magnetic Anisotropy of the “Square-In Square” Cr4Dy4 SMM Coordination Cluster

A. Powell, L. Chibotaru, R. Sessoli, 2019, Front. Chem..

Single-Molecule Toroic Design through Magnetic Exchange Coupling

L. Qin, Yan‐Zhen Zheng, H. Nojiri, 2020 .

Ab initio investigation of the non-collinear magnetic structure and the lowest magnetic excitations in dysprosium triangles

L. Chibotaru, L. Ungur, W. V. D. Heuvel, 2009 .

Structure, magnetism, and theoretical study of a mixed-valence Co(II)3Co(III)4 heptanuclear wheel: lack of SMM behavior despite negative magnetic anisotropy.

Liviu F Chibotaru, Liviu Ungur, Dominique Luneau, 2008, Journal of the American Chemical Society.

Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation

K. Pedersen, L. Chibotaru, J. Bendix, 2014 .

Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets

W. Wernsdorfer, L. Chibotaru, J. Long, 2012 .

Single-molecule magnet behavior for an antiferromagnetically superexchange-coupled dinuclear dysprosium(III) complex.

W. Wernsdorfer, G. Enright, L. Chibotaru, 2011, Journal of the American Chemical Society.

Spectroscopic determination of crystal field splittings in lanthanide double deckers

Liviu F. Chibotaru, Liviu Ungur, Milan Orlita, 2014 .

A six-coordinate ytterbium complex exhibiting easy-plane anisotropy and field-induced single-ion magnet behavior.

W. Wernsdorfer, Fu-Sheng Guo, M. Tong, 2012, Inorganic chemistry.

A non-sandwiched macrocyclic monolanthanide single-molecule magnet: the key role of axiality.

Liviu F Chibotaru, Liviu Ungur, Yanhua Lan, 2011, Chemistry.

A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K.

W. Wernsdorfer, Song Gao, Jiang Liu, 2016, Journal of the American Chemical Society.

Desolvation-Driven 100-Fold Slow-down of Tunneling Relaxation Rate in Co(II)-Dy(III) Single-Molecule Magnets through a Single-Crystal-to-Single-Crystal Process

Xiao-Ming Chen, Ming-Liang Tong, Liviu F. Chibotaru, 2015, Scientific Reports.

Magnetic anisotropy in the excited states of low symmetry lanthanide complexes.

Liviu F Chibotaru, Liviu Ungur, L. Chibotaru, 2011, Physical chemistry chemical physics : PCCP.

Fu-Sheng Guo, M. Tong, Yan‐Zhen Zheng, 2011 .

Synthesis and characterization of a two-coordinate manganese complex and its reaction with molecular hydrogen at room temperature.

G. Frenking, N. Dalal, A. Meents, 2013, Angewandte Chemie.

Magnetic anisotropy in divalent lanthanide compounds.

L. Chibotaru, Weibing Zhang, L. Ungur, 2020, Angewandte Chemie.

Hysteresis in the ground and excited spin state up to 10 T of a [MnIII6MnIII]3+ triplesalen single-molecule magnet

L. Chibotaru, P. Müller, C. Schröder, 2012 .

Net toroidal magnetic moment in the ground state of a {Dy6}-triethanolamine ring.

L. Chibotaru, E. Brechin, K. Murray, 2012, Journal of the American Chemical Society.

The origin of nonmagnetic Kramers doublets in the ground state of dysprosium triangles: evidence for a toroidal magnetic moment.

Liviu F Chibotaru, Liviu Ungur, Alessandro Soncini, 2008, Angewandte Chemie.

Dynamic Magnetic and Optical Insight into a High Performance Pentagonal Bipyramidal DyIII Single-Ion Magnet.

W. Wernsdorfer, Xiao‐Ming Chen, M. Tong, 2017, Chemistry.

Magnetic Relaxation in Single-Electron Single-Ion Cerium(III) Magnets: Insights from Ab Initio Calculations.

G. Rajaraman, L. Ungur, T. Gupta, 2015, Chemistry.

Chemical tuning of the magnetic relaxation in dysprosium(iii) mononuclear complexes.

W. Wernsdorfer, F. Tuna, L. Chibotaru, 2014, Dalton transactions.

Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh

Ming-Liang Tong, Liviu F. Chibotaru, Liviu Ungur, 2013 .

Highly Oxidized States of Phthalocyaninato Terbium(III) Multiple‐Decker Complexes Showing Structural Deformations, Biradical Properties and Decreases in Magnetic Anisotropy

M. Yamashita, J. Veciana, W. Wernsdorfer, 2020, Chemistry.

Heterometallic 3d-4f single-molecule magnets: ligand and metal ion influences on the magnetic relaxation.

B. Abrahams, L. Chibotaru, K. Murray, 2015, Inorganic chemistry.

Field-induced multiple relaxation mechanism of Co(III)2Dy(III) compound with the dysprosium ion in a low-symmetrical environment.

L. Chibotaru, Jinkui Tang, L. Ungur, 2014, Inorganic chemistry.

Giant exchange interaction in mixed lanthanides

Liviu F Chibotaru, Liviu Ungur, Veacheslav Vieru, 2015, Scientific Reports.

A heterometallic Fe(II)-Dy(III) single-molecule magnet with a record anisotropy barrier.

A. Powell, V. Mereacre, Xiao‐Ming Chen, 2014, Angewandte Chemie.

A Rare μ4‐O Centred Dy4 Tetrahedron with Coordination‐Induced Local Chirality and Single‐Molecule Magnet Behaviour

W. Wernsdorfer, L. Chibotaru, L. Ungur, 2011 .

Exchange Interactions Switch Tunneling: A Comparative Experimental and Theoretical Study on Relaxation Dynamics by Targeted Metal Ion Replacement.

L. Chibotaru, Lang Zhao, Jinkui Tang, 2018, Chemistry.

Fine-tuning the local symmetry to attain record blocking temperature and magnetic remanence in a single-ion magnet.

Liviu F Chibotaru, Liviu Ungur, Muralee Murugesu, 2014, Angewandte Chemie.

A dinuclear cobalt(II) complex of calix[8]arenes exibiting strong magnetic anisotropy.

L. Chibotaru, S. Petit, D. Luneau, 2007, Dalton transactions.

Computational Modelling of the Magnetic Properties of Lanthanide Compounds

Liviu F. Chibotaru, Liviu Ungur, L. Chibotaru, 2015 .

Key Role of Frustration in Suppression of Magnetization Blocking in Single-Molecule Magnets

L. Chibotaru, L. Ungur, Veacheslav Vieru, 2013 .

Pure trinuclear 4f single-molecule magnets: synthesis, structures, magnetism and ab initio investigation.

Song Gao, Fu-Sheng Guo, M. Tong, 2011, Chemistry.

Tuning the Magnetic Interactions and Relaxation Dynamics of Dy2 Single-Molecule Magnets.

L. Chibotaru, Jinkui Tang, L. Ungur, 2015, Chemistry.

Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets† †Electronic supplementary information (ESI) available: Full synthetic details, crystallography, magnetic properties measurements, and ab initio details. CCDC 1454168–14

L. Ungur, M. Murugesu, I. Korobkov, 2016, Chemical science.

OpenMolcas: From source code to insight.

Sebastian Mai, Philipp Marquetand, Donald G Truhlar, 2019, Journal of chemical theory and computation.

Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.

G. Frenking, D. Stalke, R. Herbst‐Irmer, 2014, Journal of the American Chemical Society.

Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

Rebecca K. Carlson, Mickaël G. Delcey, Chad E. Hoyer, 2016, J. Comput. Chem..

Ab initio calculation of anisotropic magnetic properties of complexes. I. Unique definition of pseudospin Hamiltonians and their derivation.

L. Chibotaru, L. Ungur, L F Chibotaru, 2012, The Journal of chemical physics.

Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands

F. Tuna, E. McInnes, L. Chibotaru, 2015, Nature Communications.

The active site of low-temperature methane hydroxylation in iron-containing zeolites

Edward I. Solomon, Bert F. Sels, Liviu Ungur, 2016, Nature.

J̃ -pseudospin states and the crystal field of cubic systems

L. Chibotaru, L. Ungur, Naoya Iwahara, 2018, Physical Review B.

Tetraanionic biphenyl lanthanide complexes as single-molecule magnets.

Wenliang Huang, Saeed I. Khan, L. Ungur, 2015, Inorganic chemistry.

Angular-resolved magnetometry beyond triclinic crystals: out-of-equilibrium studies of Cp*ErCOT single-molecule magnet.

Song Gao, Liviu F Chibotaru, Liviu Ungur, 2013, Chemistry.

An Inconspicuous Six-Coordinate Neutral DyIII Single-Ion Magnet with Remarkable Magnetic Anisotropy and Stability.

Sanping Chen, L. Chibotaru, Hongshan Ke, 2020, Inorganic chemistry.

Determination of the electronic structure of a dinuclear dysprosium single molecule magnet without symmetry idealization

Florian S. U. Fischer, T. Schleid, L. Chibotaru, 2018, Chemical science.

A single-molecule magnet assembly exhibiting a dielectric transition at 470 K

W. Wernsdorfer, A. Powell, P. Cheng, 2012 .

Single-molecule magnetism in a family of {Co(III)2Dy(III)2} butterfly complexes: effects of ligand replacement on the dynamics of magnetic relaxation.

L. Chibotaru, K. Murray, B. Moubaraki, 2014, Inorganic chemistry.

Ytterbium can relax slowly too: a field-induced Yb2 single-molecule magnet.

Pengfei Yan, Wenbin Sun, L. Chibotaru, 2012, Dalton transactions.

A hydride-ligated dysprosium single-molecule magnet.

F. Tuna, J. Okuda, L. Chibotaru, 2013, Chemical communications.