Probing the dynamic behaviour and magnetic identification of seven coordinated Mn(ii) complexes: a combined AIMD and multi-reference approach

Niharika Keot and Manabendra Sarma

Phys. Chem. Chem. Phys., 2023, 25, 31165
DOI: 10.1039/D3CP04072K

Angular-resolved Rabi oscillations of orthorhombic spins in a Co(ii) molecular qubit

Yi-Qiu Liao, You-Chao Liu, Yi-Han Wang, Peng-Xiang Fu, Yi Xie, Song Gao, Ye-Xin Wang, Zheng Liu and Shang-Da Jiang

Phys. Chem. Chem. Phys., 2024, 26, 14832
DOI: 10.1039/D4CP01017E

Magnetic relaxation in cobalt(ii)-based single-ion magnets influenced by distortion of the pseudotetrahedral [N2O2] coordination environment

Michael Böhme, Sven Ziegenbalg, Azar Aliabadi, Alexander Schnegg, Helmar Görls and Winfried Plass

Dalton Trans., 2018, 47, 10861
DOI: 10.1039/C8DT01530A

The dynamic ligand field of a molecular qubit: decoherence through spin–phonon coupling

Ruben Mirzoyan and Ryan G. Hadt

Phys. Chem. Chem. Phys., 2020, 22, 11249
DOI: 10.1039/D0CP00852D

Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and ab initio ligand field analyses of correlations between dihedral angles and magnetic anisotropy

Sandeep K. Gupta, Shashank V. Rao, Serhiy Demeshko, Sebastian Dechert, Eckhard Bill, Mihail Atanasov, Frank Neese and Franc Meyer

Chem. Sci., 2023, 14, 6355
DOI: 10.1039/D3SC00813D

What controls the magnetic anisotropy in heptacoordinate high-spin cobalt(ii) complexes? A theoretical perspective

Peter Comba, Gopalan Rajaraman, Arup Sarkar and Gunasekaran Velmurugan

Dalton Trans., 2022, 51, 5175
DOI: 10.1039/D1DT03903B

The influence of pseudohalide ligands on the SIM behaviour of four-coordinate benzylimidazole-containing cobalt(ii) complexes

A. Świtlicka, B. Machura, R. Kruszynski, J. Cano, L. M. Toma, F. Lloret and M. Julve

Dalton Trans., 2018, 47, 5831
DOI: 10.1039/C7DT04735E

Investigation of the magnetic anisotropy in a series of trigonal bipyramidal Mn(ii) complexes

Moya A. Hay, Arup Sarkar, Katie E. R. Marriott, Claire Wilson, Gopalan Rajaraman and Mark Murrie

Dalton Trans., 2019, 48, 15480
DOI: 10.1039/C9DT02187F

Magneto-structural diversity of Co(ii) compounds with 1-benzylimidazole induced by linear pseudohalide coligands

Anna Świtlicka, Barbara Machura, Rafał Kruszynski, Nicolás Moliner, José Miguel Carbonell, Joan Cano, Francesc Lloret and Miguel Julve

Inorg. Chem. Front., 2020, 7, 4535
DOI: 10.1039/D0QI00752H

A concentrated array of copper porphyrin candidate qubits

Chung-Jui Yu, Matthew D. Krzyaniak, Majed S. Fataftah, Michael R. Wasielewski and Danna E. Freedman

Chem. Sci., 2019, 10, 1702
DOI: 10.1039/C8SC04435J

Magnetic anisotropies and slow magnetic relaxation of three tetrahedral tetrakis(pseudohalido)–cobalt(ii) complexes

Shu-Yang Chen, Wei Lv, Hui-Hui Cui, Lei Chen, Yi-Quan Zhang, Xue-Tai Chen, Zhenxing Wang, Zhong-Wen Ouyang, Hong Yan and Zi-Ling Xue

New J. Chem., 2021, 45, 16852
DOI: 10.1039/D1NJ01916C

Deciphering the origin of invariance in magnetic anisotropy in {FeIIS4} complexes: a theoretical perspective

Arup Sarkar, Gunasekaran Velmurugan, Thayalan Rajeshkumar and Gopalan Rajaraman

Dalton Trans., 2018, 47, 9980
DOI: 10.1039/C8DT02145G

The role of alkali metal cations in the construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates

Ekaterina N. Zorina-Tikhonova, Anna K. Matiukhina, Alexander A. Korlyukov, Alexander S. Goloveshkin, Konstantin A. Babeshkin, Nikolay N. Efimov, Eugeny V. Alexandrov, Mikhail A. Kiskin and Igor L. Eremenko

CrystEngComm, 2025, 27, 3352
DOI: 10.1039/D4CE01319K

Tuning electronic structure through halide modulation of mesoionic carbene cobalt complexes

Alex J. Mantanona, Daniel R. Tolentino, Kristine S. Cay, Milan Gembicky, Rodolphe Jazzar, Guy Bertrand and Jeffrey D. Rinehart

Dalton Trans., 2020, 49, 2426
DOI: 10.1039/C9DT04624K

Counterion influence on dynamic spin properties in a V(iv) complex

Chun-Yi Lin, Thacien Ngendahimana, Gareth R. Eaton, Sandra S. Eaton and Joseph M. Zadrozny

Chem. Sci., 2019, 10, 548
DOI: 10.1039/C8SC04122A

Syntheses, structures, and magnetic properties of three two-dimensional cobalt(ii) single-ion magnets with a CoIIN4X2 octahedral geometry

Le Shi, Fu-Xing Shen, Dong Shao, Yi-Quan Zhang and Xin-Yi Wang

CrystEngComm, 2019, 21, 3176
DOI: 10.1039/C9CE00030E

An air stable radical-bridged dysprosium single molecule magnet and its neutral counterpart: redox switching of magnetic relaxation dynamics

Brian S. Dolinar, Silvia Gómez-Coca, Dimitris I. Alexandropoulos and Kim R. Dunbar

Chem. Commun., 2017, 53, 2283
DOI: 10.1039/C6CC09824J

Vanadyl dithiolate single molecule transistors: the next spintronic frontier?

S. Cardona-Serra and A. Gaita-Ariño

Dalton Trans., 2018, 47, 5533
DOI: 10.1039/C8DT00139A

The influence of pseudo-tetrahedral coordination environment of Co2+ ion in polymeric dimethylmalonates on the magnetic anisotropy and slow magnetic relaxation

Anna K. Matiukhina, Ekaterina N. Zorina-Tikhonova, Daniil O. Blinou, Roman D. Svetogorov, Pavel N. Vasilyev, Nikolay N. Efimov, Mikhail A. Kiskin and Igor L. Eremenko

Journal of Magnetism and Magnetic Materials, 2025, 614, 172650
DOI: 10.1016/j.jmmm.2024.172650

Cobalt-Based SIMs with Zero Field Single-Molecule Magnetic Properties

红娟徐

NAT, 2022, 12, 124
DOI: 10.12677/NAT.2022.123015

Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)4]2– Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations

Elizaveta A. Suturina, Joscha Nehrkorn, Joseph M. Zadrozny, Junjie Liu, Mihail Atanasov, Thomas Weyhermüller, Dimitrios Maganas, Stephen Hill, Alexander Schnegg, Eckhard Bill, Jeffrey R. Long and Frank Neese

Inorg. Chem., 2017, 56, 3102
DOI: 10.1021/acs.inorgchem.7b00097

Magnetic Anisotropy and Relaxation in Four-Coordinate Cobalt(II) Single-Ion Magnets with a [CoIIO4] Core

Hui-Hui Cui, Hongjuan Xu, Tengkun Zhang, Qiukai Chen, Shuchang Luo, Miao Wang, Jin Wang, Lei Chen, Mingxing Zhang and Yanfeng Tang

Inorg. Chem., 2024, 63, 9050
DOI: 10.1021/acs.inorgchem.4c00008

Ferroelectricity and Strong Spin–Orbit Coupling to Enhance Molecular Spin-Electric Coupling

You-Chao Liu, Jia-Xin Chen, Jun-Fei Bu, Peng-Xiang Fu, Ye-Xin Wang, Zheng Liu, Song Gao and Shang-Da Jiang

J. Am. Chem. Soc., 2025, 147, 10423
DOI: 10.1021/jacs.4c17949

Role of Coordination Number and Geometry in Controlling the Magnetic Anisotropy in FeII, CoII, and NiII Single‐Ion Magnets

Arup Sarkar, Sourav Dey and Gopalan Rajaraman

Chemistry A European J, 2020, 26, 14036
DOI: 10.1002/chem.202003211

Diverse Structures Based on a Heptanuclear Cobalt Cluster with 0D to 3D Metal–Organic Frameworks: Magnetism and Application in Batteries

Bo‐Wen Qin, Ke‐Cheng Huang, Yu Zhang, Lei Zhou, Zheng Cui, Kuo Zhang, Xiao‐Ying Zhang and Jing‐Ping Zhang

Chemistry A European J, 2018, 24, 1962
DOI: 10.1002/chem.201705023

Oxygen-Donor Metalloligands Induce Slow Magnetization Relaxation in Zero Field for a Cobalt(II) Complex with {CoO4} Motif

Giuseppe Lococciolo, Sandeep K. Gupta, Sebastian Dechert, Serhiy Demeshko, Carole Duboc, Mihail Atanasov, Frank Neese and Franc Meyer

Inorg. Chem., 2024, 63, 5652
DOI: 10.1021/acs.inorgchem.4c00054

Trigonal Prismatic Tris-pyridineoximate Transition Metal Complexes: A Cobalt(II) Compound with High Magnetic Anisotropy

Alexander A. Pavlov, Svetlana A. Savkina, Alexander S. Belov, Yulia V. Nelyubina, Nikolay N. Efimov, Yan Z. Voloshin and Valentin V. Novikov

Inorg. Chem., 2017, 56, 6943
DOI: 10.1021/acs.inorgchem.7b00447

Determining Key Local Vibrations in the Relaxation of Molecular Spin Qubits and Single-Molecule Magnets

L. Escalera-Moreno, N. Suaud, A. Gaita-Ariño and E. Coronado

J. Phys. Chem. Lett., 2017, 8, 1695
DOI: 10.1021/acs.jpclett.7b00479

Fine‐Tuning of Structural Distortion and Magnetic Anisotropy by Organosulfonates in Octahedral Cobalt(II) Complexes

Dong Shao, Fang‐Xue Xu, Lei Yin, Hong‐Qing Li, Yu‐Chen Sun, Zhong‐Wen Ouyang, Zhen‐Xing Wang, Yi‐Quan Zhang and Xin‐Yi Wang

Chin. J. Chem., 2022, 40, 2193
DOI: 10.1002/cjoc.202200284

Trigonal Prismatic Cobalt(II) Single-Ion Magnets: Manipulating the Magnetic Relaxation Through Symmetry Control

Binling Yao, Mukesh Kumar Singh, Yi-Fei Deng, Yi-Nuo Wang, Kim R. Dunbar and Yuan-Zhu Zhang

Inorg. Chem., 2020, 59, 8505
DOI: 10.1021/acs.inorgchem.0c00950

Tuning Magnetic Anisotropy of Four-Coordinated Cobalt(II) in Chain Complexes via Varying Organic Linkers

Dong Shao, Shruti Moorthy, Yang-Lu Zhang, Jing-Ping Shen, Jiong Yang, Saurabh Kumar Singh, Yuan-Zhu Zhang and Xin-Yi Wang

Crystal Growth & Design, 2024, 24, 7202
DOI: 10.1021/acs.cgd.4c00828

Systematic Study of Open‐Shell Trigonal Pyramidal Transition‐Metal Complexes with a Rigid‐Ligand Scaffold

Dawid Pinkowicz, Francisco J. Birk, Michał Magott, Kelsey Schulte and Kim R. Dunbar

Chemistry A European J, 2017, 23, 3548
DOI: 10.1002/chem.201605528

Ultrafast Jahn‐Teller Photoswitching in Cobalt Single‐Ion Magnets

Sophie E. Canton, Mykola Biednov, Mátyás Pápai, Frederico A. Lima, Tae‐Kyu Choi, Florian Otte, Yifeng Jiang, Paul Frankenberger, Martin Knoll, Peter Zalden, Wojciech Gawelda, Ahibur Rahaman, Klaus B. Møller, Christopher Milne, David J. Gosztola, Kaibo Zheng, Marius Retegan and Dmitry Khakhulin

Advanced Science, 2023, 10
DOI: 10.1002/advs.202206880

Quantum Information and Algorithms for Correlated Quantum Matter

Kade Head-Marsden, Johannes Flick, Christopher J. Ciccarino and Prineha Narang

Chem. Rev., 2021, 121, 3061
DOI: 10.1021/acs.chemrev.0c00620

THz‐EPR‐Based Direct Spectroscopic Determination of the Anisotropy Barrier of a Heteroleptic Bis‐Chelate Cobalt(II) Complex with Bis(sulfonamido)benzene Ligand and its Dynamic Magnetic Properties

Maximilian H. Pohle, Anne Konrad, Helmar Görls and Winfried Plass

Eur J Inorg Chem, 2025, 28
DOI: 10.1002/ejic.202400626

Magnetic Anisotropy in CoIIX4 (X=O, S, Se) Single‐Ion Magnets: Role of Structural Distortions versus Heavy Atom Effect

Arup Sarkar, Subrata Tewary, Shwetali Sinkar and Gopalan Rajaraman

Chemistry An Asian Journal, 2019, 14, 4696
DOI: 10.1002/asia.201901140

Uncommon lanthanide ions in purely 4f Single Molecule Magnets

Fabrice Pointillart, Olivier Cador, Boris Le Guennic and Lahcène Ouahab

Coordination Chemistry Reviews, 2017, 346, 150
DOI: 10.1016/j.ccr.2016.12.017

Slow Magnetic Relaxation and Spin‐Crossover Behavior in a Bicomponent Ion‐Pair Cobalt(II) Complex

Dong Shao, Lin‐Dan Deng, Le Shi, Dong‐Qing Wu, Xiao‐Qin Wei, Si‐Run Yang and Xin‐Yi Wang

Eur J Inorg Chem, 2017, 2017, 3862
DOI: 10.1002/ejic.201700719

Pentagonal Bipyramid FeII Complexes: Robust Ising‐Spin Units towards Heteropolynuclear Nanomagnets

Arun Kumar Bar, Nayanmoni Gogoi, Céline Pichon, V. M. L. Durga Prasad Goli, Mehrez Thlijeni, Carine Duhayon, Nicolas Suaud, Nathalie Guihéry, Anne‐Laure Barra, S. Ramasesha and Jean‐Pascal Sutter

Chemistry A European J, 2017, 23, 4380
DOI: 10.1002/chem.201605549

Tuning Magnetic Anisotropy in a Class of Co(II) Bis(hexafluoroacetylacetonate) Complexes

Xing‐Cai Huang, Jia‐Xin Li, Yong‐Zhi Chen, Wen‐Yan Wang, Rui Xu, Jin‐Xia Tao, Dong Shao and Yi‐Quan Zhang

Chemistry An Asian Journal, 2020, 15, 1469
DOI: 10.1002/asia.201901625

Construction and Magnetic Study of a Trigonal-Prismatic Cobalt(II) Single-Ion Magnet

Binling Yao, Yi-Fei Deng, Tianran Li, Jin Xiong, Bing-Wu Wang, Zhiping Zheng and Yuan-Zhu Zhang

Inorg. Chem., 2018, 57, 14047
DOI: 10.1021/acs.inorgchem.8b02692

Benchmarking Cantilever Torque Magnetometry as a Platform for Characterizing Molecular Qubits: A Case Study on Ni(II) Complexes

Jett T. Janetzki, Arsen Raza, Matteo Briganti, Rocco Duquennoy, Anne-Laure Barra, Costanza Toninelli, Mauro Perfetti and Lorenzo Sorace

J. Am. Chem. Soc., 2026, 148, 11260
DOI: 10.1021/jacs.6c00500

Optimal N–Co–N bite angle for enhancing the magnetic anisotropy of zero-field Co(II) single-ion magnets in tetrahedral [N4] coordination environment

Miao Wang, Hong−Juan Xu, Tong−Ming Sun, Hui−Hui Cui, Yi-Quan Zhang, Lei Chen and Yan−Feng Tang

Journal of Solid State Chemistry, 2021, 299, 122209
DOI: 10.1016/j.jssc.2021.122209

Iron Complexes of a Proton-Responsive SCS Pincer Ligand with a Sensitive Electronic Structure

Kazimer L. Skubi, Reagan X. Hooper, Brandon Q. Mercado, Melissa M. Bollmeyer, Samantha N. MacMillan, Kyle M. Lancaster and Patrick L. Holland

Inorg. Chem., 2022, 61, 1644
DOI: 10.1021/acs.inorgchem.1c03499

Two New Polymorphs of a Co(II) Tetra-Azide Complex with Different Magnetic Anisotropies: Structure Distortions, Slow Magnetic Relaxations, and Theoretical Studies

Wei Lv, Aoyun Zhang, Adiat A. Fakolujo, Lei Chen, Yi-Quan Zhang, Xue-Tai Chen, Zhenxing Wang and Zi-Ling Xue

Crystal Growth & Design, 2026
DOI: 10.1021/acs.cgd.6c00206

Slow Magnetic Relaxations in Cobalt(II) Tetranitrate Complexes. Studies of Magnetic Anisotropy by Inelastic Neutron Scattering and High-Frequency and High-Field EPR Spectroscopy

Lei Chen, Hui-Hui Cui, Shelby E. Stavretis, Seth C. Hunter, Yi-Quan Zhang, Xue-Tai Chen, Yi-Chen Sun, Zhenxing Wang, You Song, Andrey A. Podlesnyak, Zhong-Wen Ouyang and Zi-Ling Xue

Inorg. Chem., 2016, 55, 12603
DOI: 10.1021/acs.inorgchem.6b01544

Trapping of a Pseudotetrahedral CoIIO4 Core in Mixed-Valence Mixed-Geometry [Co5] Coordination Aggregates: Synthetic Marvel, Structures, and Magnetism

Krishna Chattopadhyay, María José Heras Ojea, Arup Sarkar, Mark Murrie, Gopalan Rajaraman and Debashis Ray

Inorg. Chem., 2018, 57, 13176
DOI: 10.1021/acs.inorgchem.8b01577

Inter-Kramers electric quadrupole transitions in high-spin systems induced by resonant alternating inhomogeneous electric field

Alexander G. Maryasov, Anatoly R. Melnikov, Matvey V. Fedin and Sergey L. Veber

Journal of Applied Physics, 2025, 138
DOI: 10.1063/5.0293954

Magnetic Properties of a Family of [MnIII4LnIII4] Wheel Complexes: An Experimental and Theoretical Study

Gavin A. Craig, Gunasekaran Velmurugan, Claire Wilson, Rafael Valiente, Gopalan Rajaraman and Mark Murrie

Inorg. Chem., 2019, 58, 13815
DOI: 10.1021/acs.inorgchem.9b01592

THz‐EPR‐based Magneto‐Structural Correlations for Cobalt(II) Single‐Ion Magnets With Bis‐Chelate Coordination

Maximilian H. Pohle, Thomas Lohmiller, Michael Böhme, Michał Rams, Sven Ziegenbalg, Helmar Görls, Alexander Schnegg and Winfried Plass

Chemistry A European J, 2024, 30
DOI: 10.1002/chem.202401545