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Yiquan Zhang Associate Professor


Summary of research

  • My research field is molecule-based magnets. The main work is to theoretically investigate the magnetic properties (magnetic anisotropy, exchange coupling, magneto-structural correlation, et al.) of molecule-based magnets including single-molecule magnets (SMMs) and single-chain magnets (SCMs) using density functional theory (DFT; GGA, Hybrid GGA) and ab initio methods (CASSCF, CASPT2, SORCI, et al). I have a lot of experience in the theoretical study of the magnetic properties of molecule-based magnets using DFT and ab initio (CASSCF, CASPT2, SORCI, DDCI, et al) methods. I am familiar with a series of computational quantum chemistry software, such as Gaussian, Orca, Molcas, ADF, et al.


  • Bachelor of Science (1996-2000)
  1. Major: Physical Education
  2. Department of Physics, Huaiyin Normal University.
  • Master of Science (2000-2003)
  1. Major: Theoretical Physics
  2. School of Physical Science and Technology, Nanjing Normal University.
  3. Supervisor: Prof. Cheng-Lin Luo (
  • Doctor of Science (2006-2009)
  1. Major: Theoretical Physics
  2. School of Physical Science and Technology, Nanjing Normal University.
  3. Supervisor: Prof. Cheng-Lin Luo (

Work Experience

  • Work Address: School of Physical Science and Technology, Nanjing Normal University.

Title:  Professor (2003-   )

  • Postdoctor: College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P. R. China (06/2012-06/2014)

Supervisor: Prof. Song Gao (

  • Visiting Scholar: Department of Chemistry, KU Leuven, Belgium (08/2015-08/2016) 

Suprvisor: Prof. Liviu F. Chibotaru(


  1. Fang Ma, Qi Chen, Jin Xiong, Hao-Ling Sun*, Yi-Quan Zhang*, and Song Gao* Modulating slow magnetic relaxation of dysprosium compounds through the position of coordinating nitrate group, Inorg. Chem., 2017, 56(21), 13430-13436.
  2. Zhong-Yu Ding,  Yin-Shan Meng,  Yi Xiao,  Yi-Quan Zhang*, Yuan-Yuan Zhu* and  Song Gao,  Probing the influence of molecular symmetry on magnetic anisotropy of octahedral cobalt(II) complexes, Inorg. Chem. Front., 2017, 4, 1909-1916.
  3. Mei-Jiao Liu,  Juan Yuan,  Yi-Quan Zhang*,  Hao-Ling Sun,  Cai-Ming Liu  and  Hui-Zhong Kou*, Chiral six-coordinate Dy(III) and Tb(III) complexes of an achiral ligand: Structure, fluorescence, and magnetism, Dalton Trans., 2017, 46(38), 13035-13042.
  4. Gengwen Tan, Jing Li, Li Zhang, Chao Chen, Yue Zhao, Xinping Wang*, You Song*, Yi-Quan Zhang*, Matthias Driess*, The Charge Transfer Approach to Heavier Main-Group Element Radicals in Transition Metal Complexes, Angew. Chem., -Int. Ed., 2017, 59(41), 12741-12745.
  5. Lin Sun, Shilong Wei, Jun Zhang, Wenyuan Wang, Sanping Chen*, Yi-Quan Zhang*, Qing Wei, Gang Xie and Shengli Gao, Isomeric ligand enhancing the anisotropy barrier within ninecoordinated {Dy2} Compounds, J. Mater. Chem. C, 2017, 5(36), 9488-9495. 
  6. Zhijie Jiang, Lin Sun, Qi Yang, Shilong Wei, Hongshan Ke, Sanping Chen,* Yi-Quan Zhang,* Qing Wei and Gang Xie, Solvent orientation in crystalline producing distinct magnetic dynamics in two binuclear Dy(III) polymorphs with polydentate Schiff base ligand, CrystEngComm, 2017, 19(38), 5735-5741. 
  7. Dongqing Wu, Dong Shao, Xiaoqin Wei, Fu-Xing Shen, Le Shi, Yi-Quan Zhang*  and  Xin-Yi Wang*, Single-Ion Magnetism in Seven-Coordinate YbIII Complexes with Distorted D5h Coordination Geometry, Dalton Trans., 2017, 46(38), 12884-12892. 
  8. Haipeng Wu, Min Li, Sheng Zhang, Hongshan Ke, Yi-Quan Zhang*, Guilin Zhuang*, Wenyuan Wang, Qing Wei, Gang Xie, and Sanping Chen*, Magnetic Interaction Affecting the Zero-Field Single-Molecule Magnet Behaviors in Isomorphic {NiII2DyIII2} and {CoII2DyIII2} Tetranuclear Complexes, Inorg. Chem., 2017, 56(18), 11387-11397. 
  9. Ya-Ru Qin, Hai-Feng Zhang, Hao Sun, Yang-Dan Pan, Yu Ge, Ya-Hong Li*, and Yi-Quan Zhang*, Two Series of Homodinuclear Lanthanide Complexes: Greatly Enhancing the Energy Barriers through Tuning the Terminal Solvent Ligands in Dy2 Single-Molecule Magnets, Chem.-Asian J., 2017, 12(21), 2834-2844.
  10. Lin Sun,  Sheng Zhang,  Zhijie Jiang,  Qi Yang,  Sanping Chen*,  Yi-Quan Zhang*,  Wenyuan Wang,  Qing Wei  and  Gang Xie, Interchange between coordinated and lattice solvents generates the highest energy barrier within nine-coordinated DyIII single molecule magnets, Dalton Trans., 2017,  46(34), 11159-11165.
  11. Yan Li, Pu Zhao, Shan Zhang, Rui Li, Yi-Quan Zhang*, En-Cui Yang*, and Xiao-Jun Zhao*, A Rare Water and Hydroxyl-Extended One-Dimensional Dysprosium(III) Chain and Its Magnetic Dilution Effect, Inorg. Chem., 2017, 56(16), 9594-9601.
  12. Jian Wang,  Hao Miao,  Zhao-Xin Xiao,  Yan Zhou,  Lin-Dan Deng,  Yi-Quan Zhang*  and Xin-Yi Wang*,  Syntheses, Structures and Magnetic Properties of Lanthanide Complexes of the Pyrimidyl-Substituted Nitronyl Nitroxide Radical, Dalton Trans., 2017, 46, 10452-10461.
  13. Jing Yang,  Fang Ma,  Xuebin Deng,  Hao-Ling Sun*  and  Yi-Quan Zhang*,Construction and magnetic study of two new dysprosium complexes with chain or tetranuclear structure, CrystEngComm., 2017, 19, 4025-4032.
  14. Li Zhang, Yi Quan Zhang,* Peng Zhang,* Lang Zhao, Mei Guo, Jinkui Tang*, Single-molecule Magnet Behaviour Enhanced by Synergic Effect of Single-ion Anisotropy and Magnetic Interactions, Inorg. Chem., 2017, 56(14), 7882-7889.
  15. Jing Li,§ Chen Yuan,§ Li Yang, Ming Kong, Jing Zhang, Jing-Yuan Ge, Yi-Quan Zhang,* and You Song*, Magnetic Anisotropy along a Series of Lanthanide Polyoxometalates with Pentagonal Bipyramidal Symmetry, Inorg. Chem., 2017, 56(14), 7835-7841.
  16. Shan-Shan Liu*, Yin-Shan Meng, Yi-Quan Zhang, Zhao-Sha Meng, Ke Lang, Zhen-Liang Zhu, Chang-Fang Shang, Bing-Wu Wang*, and Song Gao*, A Six-Coordinate Dysprosium Single-Ion Magnet with Trigonal-Prismatic Geometry, Inorg. Chem., 2017, 56(13), 7320-7323. 
  17. Yan Peng, Valeriu Mereacre, Christopher E. Anson, Yi-Quan Zhang, Tilmann Bodenstein, Karin Fink, and Annie K. Powell*, Field-Induced Co(II) Single-Ion Magnets with mer-Directing Ligands but Ambiguous Coordination Geometry, Inorg. Chem., 2017, 56(11), 6056–6066.
  18. Wan-Ying Zhang,  Yong-Mei Tian,  Hong-Feng Li,  Peng Chen,  Yi-Quan Zhang,*  Peng-Fei Yan*  and  Wen-Bin Sun*,Strictly linear trinuclear Dy–Ca/Mg–Dy single-molecule magnets: the impact of long-range f–f ferromagnetic interactions on suppressing quantum tunnelling of magnetization leading to slow magnetic relaxation,Dalton Trans., 2017, 46,8259-8268.
  19. Hui-Ming Dong, Hai-Yan Li, Yi-Quan Zhang*, En-Cui Yang*, and Xiao-Jun Zhao*, Magnetic Relaxation Dynamics of a Centrosymmetric Dy2 Single-Molecule Magnet Triggered by Magnetic-Site Dilution and External Magnetic Field, Inorg. Chem., 2017, 56(10), 5611-5622. 
  20. Pei-Pei Cen, Sheng Zhang, Xiang-Yu Liu*, Wei-Ming Song, Yi-Quan Zhang*, Gang Xie, and San-Ping Chen*, Electrostatic Potential Determined Magnetic Dynamics Observed in Two Mononuclear β-Diketone Dysprosium(III) Single-Molecule Magnets, Inorg. Chem., 2017, 56(6), 3644-3656. 
  21. Hao-Ran Tu, Wen-Bin Sun*, Hong-Feng Li, Peng Chen, Yong-Mei Tian*, Wan-Ying Zhang, Yi-Quan Zhang*, Peng-Fei Yan, Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets, Inorg. Chem. Front., 2017, 4, 499-508.
  22. Xiao-Nan Yao, Jing-Zhen Du, Yi-Quan Zhang, Xue-Bing Leng, Mu-Wen Yang, Shang-Da Jiang, Zhen-Xing Wang, Zhong-Wen Ouyang, Liang Deng*, Bing-Wu Wang*, Song Gao*, Two-Coordinate Co(II) Imido Complexes as Outstanding Single-Molecule Magnets, J. Am. Chem. Soc., 2017, 139, 373-380.
  23. Jing-Yuan Ge, Long Cui, Jing Li, Fei Yu, You Song, Yi-Quan Zhang*, Jing-Lin Zuo*, Modulating Single-Molecule Magnetic Behavior of a Dinuclear Erbium(III) Complex by Solvent Exchange, Inorg. Chem., 2017, 56(1), 336-343.
  24. Jing Li, Rong-Min Wei, Tian-Cheng Pu, Fan Cao, Li Yang, Yuan Han, Yi-Quan Zhang*, Jing-Lin Zuo*, You Song*, Tuning quantum tunnelling of magnetization through 3d–4f magnetic interactions: an alternative approach for manipulating single-molecule magnetism, Inorg. Chem. Front., 2017, 4, 114-122.
  25. Kun Zhang, Chen Yuan, Fu-Sheng Guo, Yi-Quan Zhang*, Yao-Yu Wang*, Fine-tuning terminal solvent ligands to rationally enhance the energy barrier in dinuclear dysprosium single-molecule magnets, Dalton Trans., 2017, 46, 186-192. 
  26. Jin Xiong, Hai-Yan Ding, Yin-Shan Meng, Chen Gao, Xue-Jing Zhang, Zhao-Shao Meng, Yi-Quan Zhang, Wei Shi, Bing-Wu Wang*, Song Gao*, Hydroxide-bridged five-coordinate DyIII single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers, Chem. Sci., 2017, 8, 1288-1294. 
  27. Qi Chen, Fang Ma, Yin-Shan Meng, Hao-Ling Sun*, Yi-Quan Zhang*, Song Gao*, Assembling dysprosium dimer units into a novel chain featuring slow magnetic relaxation via formate linker, Inorg. Chem., 2016, 55, 12904-12911.
  28. Lei Chen, Hui-Hui Cui, Shelby E. Stavretis, Seth C. Hunter, Yi-Quan Zhang*, Xue-Tai Chen*, Yi-Chen Sun, Zhen-Xing Wang*, You Song, Andrey A. Podlesnyak*, Zhong-Wen Ouyang, Zi-Ling Xue*, Slow Magnetic Relaxations in Cobalt(II) Tetranitrate Complexes. Studies of Magnetic Anisotropy by Inelastic Neutron Scattering and High-Frequency and -Field EPR Spectroscopy, Inorg. Chem., 2016, 55, 12603-12617.
  29. Yan Li, Qiu Shang, Yi-Quan Zhang*, En-Cui Yang*, Xiao-Jun Zhao*, Fine Tuning of Anisotropy Barrier by Ligand Substitution Observed in Linear {Dy2Ni2} Clusters, Chem. Eur. J., 2016, 22, 18840-18849.
  30. Dong Shao, Shao-Liang Zhang, Le Shi, Yi-Quan Zhang*, Xin-Yi Wang*, Probing the Effect of Axial Ligands on Easy-Plane Anisotropy of Pentagonal-Bipyramidal Cobalt(II) Single-Ion Magnets, Inorg. Chem., 2016, 55, 10859-10869. 
  31. Yin-Shan Meng, Yi-Quan Zhang*, Zhe-Ming Wang, Bing-Wu Wang,* and Song Gao*, Weak Ligand-Field Effect from Ancillary Ligands on Enhancing Single-Ion Magnet Performance, Chem. Eur. J., 2016, 22, 12724-12731. 
  32. Qi Chen, Jian Li, Yin-Shan Meng, Hao-Ling Sun*, Yi-Quan Zhang*, Jun-Liang Sun*, and Song Gao*, Tuning Slow Magnetic Relaxation in a Two-Dimensional Dysprosium Layer Compound through Guest Molecules, Inorg. Chem., 2016, 55, 7980-7987. 
  33. Yu-Ling Wang, Chang-Bao Han, Yi-Quan Zhang*, Qing-Yan Liu*, Cai-Ming Liu, and Shun-Gao Yin, Fine-Tuning Ligand to Modulate the Magnetic Anisotropy in a Carboxylate-Bridged Dy2 Single-Molecule Magnet System, Inorg. Chem., 2016, 55, 5578-5584. 
  34. Jing Li, Yuan Han, Fan Cao, Rong-Min Wei, Yi-Quan Zhang*, You Song*, Two Field-Induced Slow Magnetic Relaxation Processes in a Mononuclear Co(II) Complex with Distorted Octahedral Geometry, Dalton Trans., 2016, 45, 9279-9284.
  35. Ye Bi, Cheng Chen, Yifang Zhao, Yi-Quan Zhang, Shang-Da Jiang, Bing-Wu Wang*,   Junbo Han, Jun Liang Sun, Zuqiang Bian, Zheming Wang and Song Gao*, Thermostability and Photoluminescence under the Magnetic Field of Dy(III) Single-Molecule Magnets, Chem. Sci., 2016, 7, 5020-5031. 
  36. Yin-Shan Meng, Chun-Hong Wang, Yi-Quan Zhang, Xue-Bing Leng, Bing-Wu Wang,* Yao-Feng Chen* and Song Gao*, (Boratabenzene)(cyclooctatetraenyl) lanthanide complexes: a new type of organometallic single-ion magnet, Inorg. Chem. Front., 2016, 3, 828-835. 
  37. Shan-Shan Liu, Ke Lang, Yi-Quan Zhang, Qian Yang, Bing-Wu Wang*, Song Gao*, A distinct magnetic anisotropy enhancement in mononuclear dysprosium–sulfur complexes by controlling the Dy-ligand bond length, Dalton Trans., 2016, 45, 8149-8153.
  38. Yin-Shan Meng, Yu-Sen Qiao, Yi-Quan Zhang, Shang-Da Jiang, Zhao-Sha Meng, Bing-Wu Wang*, Zhe-Ming Wang and Song Gao*, Can Non-Kramers TmIII Mononuclear Molecules Be SMMs? Chem. Eur. J., 2016, 22, 4704-4708.
  39. Wan-Ying Zhang, Yong-Mei Tian, Hong-Feng Li, Peng Chen, Wen-Bin Sun*, Yi-Quan Zhang* and Peng-Fei Yan*, A series of dinuclear Dy(III) complexes bridged by 2-methyl-8-hydroxylquinoline: replacement on the periphery coordinated β-diketonate terminal leads to different single-molecule magnetic properties, Dalton Trans., 2016, 45, 3863-3873.
  40. Da Zhang, Yong-Mei Tian, Wen-Bin Sun*, Hong-Feng Li, Peng Chen, Yi-Quan Zhang* and Peng-Fei Yan*, A family of tetranuclear quinolinolate Dy(III)-based single-molecule magnets: effects of periphery ligand replacement on their magnetic relaxation, Dalton Trans., 2016, 45, 2674-2680. 
  41. Wen-Bin Sun, Peng-Fei Yan, Shang-Da Jiang, Bing-Wu Wang*, Yi-Quan Zhang, Hong-Feng Li, Peng Chen, Zhe-Ming Wang and Song Gao*,  High symmetry or low symmetry, that is the question – high performance Dy(III) single-ion magnets by electrostatic potential design, Chem. Sci., 2016, 7, 684-691. 
  42. Yin-Shan Meng, Zhen-Bo Mo, Bing-Wu Wang, Yi-Quan Zhang*, Liang Deng* and Song Gao*, Observation of the single-ion magnet behavior of d8 ions on two-coordinate Co(I)–NHC complexes, Chem. Sci., 2015, 6, 7156-7162.  
  43. Dan-Dan Yin, Qi Chen, Yin-Shan Meng, Hao-Ling Sun,* Yi-Quan Zhang,* and Song Gao*, Slow magnetic relaxation in a carboxylate/oxalate/hydroxyl bridged dysprosium layer, Chem. Sci., 2015, 6, 3095-3101. 
  44. Wei Cao, Chen Gao, Yi-Quan Zhang, Dong-Dong Qi, Tao Liu,* Kang Wang, Chun-Ying Duan, Song Gao,* and Jian-Zhuang Jiang*, Rationally Enhance the Energy Barrier of Bis(tetrapyrrole) Dysprosium SMMs via Replacing Atom of Porphyrin Core, Chem. Sci., 2015, 6, 5947-5954. 
  45. Kang Qian, José Jaime Baldoví, Shang-Da Jiang*, Alejandro Gaita-Ariño, Yi-Quan Zhang, Jacob Overgaard, Bing-Wu Wang, Eugenio Coronado* and Song Gao*, Does the Thermal Evolution of Molecular Structures Critically Affect Electronic and Magnetic Structure? Chem. Sci., 2015, 6, 4587-4593. 
  46. Jin-Mei Wei,and Yi-Quan Zhang*, Unexpectedly Strong Magnetic Anisotropy in a Mononuclear Eight-Coordinate Cobalt(II) Complex: A Theoretical Exploration, Inorg. Chem., 2015, 54,1203-1205.  
  47. Yuan-Yuan Zhu,* Ming-Sheng Zhu, Ting-Ting Yin, Yin-Shan Meng, Zong-Quan Wu, Yi-Quan Zhang,* and Song Gao*, Co(II) Coordination Polymer Exhibiting Single Ion Magnet Type Field-Induced Slow Relaxation Behaviour, Inorg. Chem., 2015, 54, 3716-3718.  
  48. Hua-Hong Zou, Liang-Bing Sheng, Fu-Pei Liang,* Zi-Lu Chen and Yi-Quan Zhang*, Experimental and theoretical investigations of four 3d–4f butterfly single-molecule magnets, Dalton Trans., 2015, 44, 18544-18552.   
  49. Yi-Quan Zhang,* and Cheng-Lin Luo, Origin of the Relaxation Barriers in a Family of MReIV(CN)2 Single-Chain Magnets (M = MnII, NiII, CoII): A Theoretical Investigation, New J. Chem., 2015, 39,445-452. 
  50. Lei Chen, Jing Wang, Yuan-Zhong Liu, You Song, Xue-Tai Chen,* Yi-Quan Zhang,* Zi-Ling Xue,Slow magnetic relaxation in mononuclear octahedral manganese(III) complexes with dibenzoylmethanide ligands,Eur. J. Inorg. Chem., 2015, 2015, 271-278. 
  51. Yuan-Yuan Zhu*, Ting-Ting Yin, Chang-Wei Liu, Chen Gao, Zong-Quan Wu*, Yi-Quan Zhang*, Bing-Wu Wang, Song Gao, Field-induced slow magnetic relaxation in a hydrogen bonding linked Co(II) 1D supramolecular coordination polymer, Supramolecular Chem., 2015, 27, 401-406. 
  52. Shan-Shan Liu, Ling Xu, Shang-Da Jiang, Yi-Quan Zhang, Yin-Shan Meng, Zi-Tao Wang, Bing-Wu Wang,* Wen-Xiong Zhang,* Zhen-Feng Xi and Song Gao*, Half-Sandwich Complexes of DyIII: A Janus-Motif with Facile Tunability of Magnetism, Inorg. Chem., 2015, 54, 5162-5168. 
  53. Yuan-Yuan Zhu*, Yi-Quan Zhang, Ting-Ting Yin, Chen Gao, Bing-Wu Wang, and Song Gao*, A Family of CoIICoIII3 Single-Ion Magnets with Zero-Field Slow Magnetic Relaxation: Fine Tuning of Energy Barrier by Remote Substituent and Counter Cation, Inorg. Chem., 2015, 54, 5475-5486. 
  54. Yu-Ling Wang*, Lin Chen, Cai-Ming Liu, Yi-Quan Zhang, Shun-Gao Yin, and Qing-Yan Liu*, Field-Induced Slow Magnetic Relaxation and Gas Adsorption Properties of a Bifunctional Cobalt(II) Compound, Inorg. Chem., 2015, 54, 11362-11368. 
  55. Yan-Chuan, Yi-Shan Meng, Qi Chen, Hao-Ling Sun, Yi-Quan Zhang, Song Gao, Construction and theoretical study of a new Dy-beta-diketone chain featuring slow magnetic relaxation, CrystEngComm, 2015, 17, 5620-5624.  
  56. Lei Chen, Jing Wang, Jin-Mei Wei, Wolfgang Wernsdorfer, Xue-Tai Chen,* Yi-Quan Zhang,* You Song,* and Zi-Ling Xue, Slow Magnetic Relaxation in a Mononuclear Eight-Coordinate Cobalt(II) Complex, J. Am. Chem. Soc., 2014, 136, 12213-12216. 
  57. Yi-Quan Zhang, Cheng-Lin Luo, Xin-Bao Wu, Bing-Wu Wang*, Song Gao*, Magneto-Structural Correlations in a Family of FeIIReIV(CN)2 Single-Chain Magnets: Density Functional Theory and Ab Initio Calculations , Inorg. Chem., 2014, 53, 3503-3510. 
  58. Yi-Quan Zhang,* Cheng-Lin Luo,Qiang Zhang,Exchange Coupling and Magnetic Anisotropy in a Family of Bipyrimidyl Radical-Bridged Dilanthanide Complexes: Density Functional Theory and Ab Initio Calculations,J. Comput. Chem., 2014, 35, 904-909. 
  59. Ying Chen, Fan Cao, Rong-Min Wei, Yang Zhang, Yi-Quan Zhang,* You Song*, Spin-crossover phenomena of the mononuclear MnIII complex tuned by metal dithiolene counteranions, Dalton. Trans., 2014, 43, 3783-3791 
  60. Shan-Shan Liu, Joseph W. Ziller, Yi-Quan Zhang, Bing-Wu Wang*, William J. Evans* and Song Gao*, A Half-sandwich Organometallic Single-Ion Magnet with Neutral Hexamethylbenzen Coordinating to the Dy(III) Ion, Chem. Commun., 2014, 50, 11418-11420. 
  61. Qi Chen, Yin-Shan Meng, Yi-Quan Zhang, Shang-Da Jiang, Hao-Ling Sun,* and Song Gao*, A 1D dysprosium chain with slow magnetic relaxation constructed from a pyridine-N-oxide ligand, Chem. Commun., 2014, 50, 10434-10437. 
  62. Bo Na, Xue-Jing Zhang, Wei Shi,* Yi-Quan Zhang, Bing-Wu Wang,* Chen Gao, Song Gao, Peng Cheng,* Six-Coordinate Lanthanide Complexes: Slow Relaxation of Magnetization in the Dysprosium(III) Complex, Chem. Eur. J. 2014, 20, 15975-15980. 
  63. Wen-Bin Sun, Bing Yan, Yi-Quan Zhang, Bing-Wu Wang*, Zhe-Ming Wang, Jun-Hua Jia, Song Gao*, The slow magnetic relaxation regulated by ligand conformation of a lanthanide single-ion magnet [Hex4N][Dy(DBM)4], Inorg. Chem. Front., 2014, 1, 503-509. 
  64. Yi-Quan Zhang, Cheng-Lin Luo, Bing-Wu Wang*, Song Gao*, Understanding the Magnetic Anisotropy in a Family of N23– Radical-Bridged Lanthanide Complexes: Density Functional Theory and Ab Initio Calculations, J. Phys. Chem. A, 2013, 117, 10873-10880. 
  65. Yuan-Yuan Zhu, Chang Cui, Yi-Quan Zhang, Jun-Hua Jia, Xiao Guo, Chen Gao, Kang Qian, Shang-Da Jiang, Bing-Wu Wang*, Zhe-Ming Wang, Song Gao*, Zero-field slow magnetic relaxation from single Co(II) ion: a transition metal single-molecule magnet with high anisotropy barrier, Chem. Sci., 2013, 4, 1802-1806. 
  66. Fen Yang, Qi Zhou, Yi-Quan Zhang, Guang Feng, Guanghua Li, Zhan Shi*,Bing-Wu Wang* and Shou-Hua Feng, Inspiration from old molecules: field-induced slow magnetic relaxation in three air-stable tetrahedral cobalt(II) compounds, Chem. Commun. 2013, 49, 5289-5291.  
  67. Yan-Hui Chi, Jing-Min Shi,* Hong-Nan Li, Wei Wei, Ethan Cottrill, Ning Pan, Hu Chen, Yuan Liang, Li Yu, Yi-Quan Zhang,Chao Hou,π–π Stacking, spin density and magnetic coupling strength,Dalton Trans., 2013, 42, 15559-15569.
  68. Yuan-Yuan Wang, Qing-Hua Liu, Wei Wei, Hua Du, Jing-Min Shi,* Yi-Quan Zhang, Synthesis, Crystal structure and magnetism of a one-dimensional MnII Chain with a single  1,3-azido as bridge ligand. J. Coord. Chem, 2013, 66(2), 254-260. 
  69. Qing Li, Qing-Hua Liu, Wei Wei, Yi-Quan Zhang, Shu-Lian Liu, Jing-Min Shi,* Intramolecular and Intermolecular Magnetic Coupling Mechanism of a Dinuclear Copper(II) Complex. Zeitschrift Fur Anorganische Und Allgemeine Chemie, 2013, 639(1), 181-186. 
  70. Yan-Hui Chi, Wei Wei, Jing-Min Shi,* Yi-Quan Zhang, Shu-Lian Liu, Intermolecular interaction and magnetic coupling mechanism between adjacent mononuclear NiII complexes. J. Coord. Chem., 2012, 65(13), 2379-2390. 
  71. Yi-Quan Zhang* and Cheng-Lin Luo,Exploring the Sources of the Magnetic Anisotropy in a Family of Cyanide-Bridged Ni9Mo6 and Ni9W6 Systems: A Density Functional Theory Study, J. Phys. Chem. A, 2011, 115(26):7778-7784. 
  72. Yi-Quan Zhang* and Cheng-Lin Luo,Strong anisotropy barriers of two theoretically  modeled cyano-bridged magnets [(PY5Me2)4M4Re(CN)7]5+ (M = VII, NiII): DFT predictions, Polyhedron, 2011, 30(18):3228-3231. 
  73. Yan-Hui Chi, Li Yu, Jing-Min Shi,* Yi-Quan Zhang*, Tai-Qiu Hu, Gui-Qiu Zhang, Wei Shi, Peng Cheng, -  Stacking and ferromagnetic coupling mechanism on a binuclear Cu(II)complex. Dalton Trans., 2011, 40(7): 1453-1462.   
  74. Li Yu, Jing-Min Shi*, Yi-Quan Zhang*, Yu-Qing Wang, Ya-Nan Fan, Gui-Qiu Zhang, Wei Shi, Peng Cheng, -  Stacking and magnetic coupling mechanism on a mono-nuclear Mn(II) complex. J. Mol. Struct., 2011, 987(1-3):138-143.  
  75. Hong-Bo Zhou, Hui-Sheng Wang, Ying Chen, Yong-Lu Xu, Xiao-Jiao Song, You Song,* Yi-Quan Zhang* and Xiao-Zeng You, Synthesis, structure, magnetic properties and DFT calculations of two hydroxo-bridged complexes based on MnIII(Schiff-Bases). Dalton Trans., 2011, 40(22):5999-6006. 
  76. Yi-Quan Zhang* and Cheng-Lin Luo, Theoretical study of magnetostructural correlations in a family of triangular manganese(III) Complexes. Dalton Trans., 2009(29):5627-5636. 
  77. Yi-Quan Zhang* and Cheng-Lin Luo,Magnetic anisotropy in a family of experimentally synthesized and theoretically modeled M'6M8(CN24) systems. ChemPhysChem, 2009, 10(14):2496-2502.
  78. Yi-Quan Zhang* and Cheng-Lin Luo,On the Origin of the Magnetic Anisotropy in Cyanide-Bridged Co9M6 (M=MoV or WV) Systems: A DFT Study. Inorg. Chem., 2009, 48, 10486-10488.
  79. Yi-Quan Zhang* and Cheng-Lin Luo, Theoretical study of the exchange coupling substituting MoV with WV in four cyano-bridged M´9M6 (M´= MnII or NiII; M=MoV or WV) systems, Dalton Transactions, 2008, 2008(34):4575-4584.
  80. Yi-Quan Zhang* and Cheng-Lin Luo, Density functional theory studies of the magnetostructural correlations in the cyano-bridged Mo2Ni and Mo2Ni3 systems, Eur. J. Inorg. Chem., 2008, 2008(13):2199-2206.
  81. Yi-Quan Zhang* and Cheng-Lin Luo, A Theoretical study of the nearest Cu···Cu antiferromagnetic exchange coupling interactions in [LaCu6] and [YCu6], Eur. J. Inorg. Chem., 2007, 2007(9):1261-1267.
  82. Yi-Quan Zhang* and Cheng-Lin Luo, Magnetostructural correlations in the cyano-Bridged CrNi, Cr2Ni and CrNi6 complexes: density functional theory calculations, J. Mater. Chem., 2006, 16(48):4657-4664.
  83. Yi-Quan Zhang* and Cheng-Lin Luo, Theoretical Study of the Relationship Between the Nearest-Neighbor Exchange Coupling Interactions and the Number of Peripheral Complexes in the Cyano-Bridged, J. Phys. Chem. A, 2006, 110(15): 5096-5101.
  84. Yi-Quan Zhang* and Cheng-Lin Luo, Relationship between the nearest-neighbor exchange coupling constants and the number of exchange interactions in the cyano-bridged MnMo6(CN)18 cluster: density functional theory calculations, Eur. J. Inorg. Chem., 2006, 2006(11):2292-2298.
  85. Yi-Quan Zhang* and Cheng-Lin Luo, Theoretical Study of the Magnetic Exchange Coupling Behavior Substituting Cr(III) with Mo(III) in Cyano-Bridged Transition Metal Complexes, Inter. J. Quant. Chem., 2006, 106(7):1551-1560.
  86. Yi-Quan Zhang*, Cheng-Lin Luo and Zhi Yu, Magnetic exchange interactions in cyano-Bridged Mo(III)  binuclear complexes: broken-symmetry and density functional theory calculations. Inter. J. Quant. Chem., 2005, 102(2):165-173.
  87. Yi-Quan Zhang*, Cheng-Lin Luo and Zhi Yu, Exchange coupling behavior of cyano-bridged binuclear Fe(III)-Ni(II) complexes: a density functional theory combined with broken-symmetry. New J. Chem., 2005, 29(10):1285-1290.
  88. Yi-Quan Zhang*, Cheng-Lin Luo and Zhi Yu, Magnetic coupling constants and spin density distributions for cyano-bridged Gd(III)-Fe(III) and Gd(III)-Cr(III) compounds: broken-symmetry and density functional theory calculations. Inter. J. Moder. Phys. B, 2005, 19(15-17):2538-2543.


Research Projects

  1. National Natural Science Foundation of China, 10704041, 2008/01-2010/12, Project host 
  2. China Postdoctoral Science Foundation funded project, 2012M520104, 2012/09-2014/03, Project host
  3. Natural Science Foundation of Jiangsu Province of China, BK2011778, 2011/09-2014/12, Project host
  4. Natural Science Foundation of Jiangsu Province of China, BK20151542, Project host


  • Address: School of Physical Science and Technology, Nanjing Normal University, Nanjing 210023, P. R. China
  • Phone: 025-85891459
  • E-mail: