Citation: Jia-hui JING, Bin LIU, Yin-shan MENG, Yi-quan ZHANG, Hai-quan LU, Shan-shan LIU. Crystal Structure, Magnetic Properties and Theoretical Investigation of a Dysprsoium Complex Based on 1-Phenyl-3-methyl-4-benzoyl-pyrazol-5-one[J]. Chinese Journal of Inorganic Chemistry, ;2021, 37(4): 623-628. doi: 10.11862/CJIC.2021.082 shu

Crystal Structure, Magnetic Properties and Theoretical Investigation of a Dysprsoium Complex Based on 1-Phenyl-3-methyl-4-benzoyl-pyrazol-5-one

Jia-hui JING ^{1, #} ,
Bin LIU ^{1, #} ,
Yin-shan MENG ^{2, 3} ,
Yi-quan ZHANG ⁴ ,
Hai-quan LU ¹ ,
Shan-shan LIU ^1,,

1.
Beijing Key Laboratory of Fuels Cleaning and Advanced Catalytic Emission Reduction Technology, College of Chemical Engineering, Beijing Institute of Petrochemical Technology, Beijing 102617, China
2.
State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian, Liaoning 116024, China
3.
Beijing National Laboratory for Molecular Sciences, Beijing Key Laboratory for Magnetoelectric Materials and Devices, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China
4.
Jiangsu Key Laboratory for NSLSCS, School of Physical Science and Technology, Nanjing Normal University, Nanjing 210023, China

Corresponding author: Shan-shan LIU, liushanshan2015@bipt.edu.cn
Received Date: 20 September 2020
Revised Date: 19 December 2020

Figures(7)

A mononuclear dysprosium complex [Dy(pmbp)₃(H₂O)₂]·CH₃CN(1)(Hpmbp=1-phenyl-3-methyl-4-benzoyl-pyrazol-5-one) was synthesized by the slow evaporation method. The complex exhibits a distorted square antiprism geometry around Dy(Ⅲ)ion, which coordinates to three pmbp^- and two H₂O ligands. The magnetic properties measurements show that 1 can exhibit a slow magnetic relaxation behavior under an applied dc field, and the effective energy barrier was 42 K. The ab intio calculations point out that the magnetic easy axis is along the direction of two pmbp^- ligands in trans position, and the g_z value of low-lying ground state was 18.818. Magneto-structural correlation studies analyzed the influence of conjugation effect in pmbp^- ligand on the magnetic anisotropy of complex 1.CCDC: 2032517.
- β-diketone,
- single-molecule magnet,
- magnetic anisotropy,
- conjugation effect
1. [1]
  Guo F S, Day B M, Chen Y C, Tong M L, Mansikkamäki A, Layfield R A. Science, 2018, 362(6421): 1400-1403 doi: 10.1126/science.aav0652
2. [2]
  Rinehart J D, Long J R. Chem. Sci. , 2011, 2(11): 2078-2085 doi: 10.1039/c1sc00513h
3. [3]
  Wu H P, Li M, Yin B, Xia Z Q, Ke H S, Wei Q, Xie G, Chen S P, Gao S L. Dalton Trans. , 2019, 48(43): 16384-16394 doi: 10.1039/C9DT03292D
4. [4]
  Ungur L, Chibotaru L F. Phys. Chem. Chem. Phys. , 2011, 13(45): 20086-20090 doi: 10.1039/c1cp22689d
5. [5]
  Blagg R J, Ungur L, Tuna F, Speak J, Comar P, Collison D, Wernsdorfer W, McInnes E J L, Chibotaru L F, Winpenny R E P. Nat. Chem. , 2013, 5(8): 673-678 doi: 10.1038/nchem.1707
6. [6]
  Chilton N F, Goodwin C A P, Mills D P, Winpenny R E P. Chem. Commun. , 2015, 51(1): 101-103 doi: 10.1039/C4CC08312A
7. [7]
  Jiang Z J, Sun L, Yang Q, Yin B, Ke H S, Han J, Wei Q, Xie G, Chen S P. J. Mater. Chem. C, 2018, 6(15): 4273-4280 doi: 10.1039/C8TC00353J
8. [8]
  McClain K R, Gould C A, Chakarawet K, Teat S J, Groshens T J, Long J R, Harvey B G. Chem. Sci. , 2018, 9(45): 8492-8503 doi: 10.1039/C8SC03907K
9. [9]
  Liu J L, Chen Y C, Tong M L. Chem. Soc. Rev. , 2018, 47(7): 2431-2453 doi: 10.1039/C7CS00266A
10. [10]
  Meng Y S, Jiang S D, Wang B W, Gao S. Acc. Chem. Res. , 2016, 49(11): 2381-2389 doi: 10.1021/acs.accounts.6b00222
11. [11]
  Jiang S D, Qin S X. Inorg. Chem. Front. , 2015, 2(7): 613-619 doi: 10.1039/C5QI00052A
12. [12]
  Ungur L, Chibotaru L F. Chem. Eur. J. , 2017, 23(15): 3708-3718 doi: 10.1002/chem.201605102
13. [13]
  Goodwin C A P, Ortu F, Reta D, Chilton N F, Mills D P. Nature, 2017, 548(7668): 439-442 doi: 10.1038/nature23447
14. [14]
  Guo F S, Day B M, Chen Y C, Tong M L, Mansikkamäki A, Layfield R A. Angew. Chem. Int. Ed. , 2017, 56(38): 11445-11449 doi: 10.1002/anie.201705426
15. [15]
  Evans P, Reta D, Whitehead G F S, Chilton N F, Mills D P. J. Am. Chem. Soc. , 2019, 141(50): 19935-19940 doi: 10.1021/jacs.9b11515
16. [16]
  Aravena D, Ruiz E. Inorg. Chem. , 2013, 52(23): 13770-13778 doi: 10.1021/ic402367c
17. [17]
  Woodruff D N, Winpenny R E P, Layfield R A. Chem. Rev. , 2013, 113(7): 5110-5148 doi: 10.1021/cr400018q
18. [18]
  Zhang P, Guo Y N, Tang J K. Coord. Chem. Rev. , 2013, 257(11/12): 1728-1763
19. [19]
  Feltham H L C, Brooker S. Coord. Chem. Rev. , 2014, 276: 1-33 doi: 10.1016/j.ccr.2014.05.011
20. [20]
  Jiang S D, Wang B W, Su G, Wang Z M, Gao S. Angew. Chem. Int. Ed. , 2010, 49(41): 7448-7451 doi: 10.1002/anie.201004027
21. [21]
  Dong Y P, Yan P F, Zou X Y, Li G M. Inorg. Chem. Front. , 2015, 2(9): 827-836 doi: 10.1039/C5QI00079C
22. [22]
  LIU C M, HUANG G X, XIONG M. Chinese J. Inorg. Chem. , 2014, 30(1): 93-98
23. [23]
  Ge J Y, CHEN Z Y, MA J P, HUANG S, DU J, WANG H O, SU K P, WANG H Y. Chinese J. Inorg. Chem. , 2018, 34(9): 1761-1767
24. [24]
  LUO M R, CHENG L, SONG L X, ZHANG D R. Chinese J. Inorg. Chem. , 1986, 2(2): 39-48
25. [25]
  Zhou D J, Li Q, Huang C H, Yao G Q, Umetani S, Matsui M, Ying L M, Yu A C, Zhao X S. Polyhedron, 1997, 16(8): 1381-1389 doi: 10.1016/S0277-5387(96)00382-8
26. [26]
  HE Q Z, MA S Z, XU D F. Chinese J. Inorg. Chem. , 2007, 23(10): 1723-1728
27. [27]
  Aquilante F, Autschbach J, Carlson R K, Chibotaru L F, Delcey M G, De Vico L, Galván I F, Ferré N, Frutos L M, Gagliardi L, Garavelli M, Giussani A, Hoyer C E, Li Manni G, Lischka H, Ma D, Malmqvist P A, Müller T, Nenov A, Olivucci M, Pedersen T B, Peng D, Plasser F, Pritchard B, Reiher M, Rivalta I, Schapiro I, SegarraMartí J, Stenrup M, Truhlar D G, Ungur L, Valentini A, Vancoillie S, Veryazov V, Vysotskiy V P, Weingart O, Zapata F, Lindh R. J. Comput. Chem. , 2016, 37(5): 506-541 doi: 10.1002/jcc.24221
28. [28]
  Chibotaru L F, Ungur L, Soncini A. Angew. Chem. Int. Ed. , 2008, 47(22): 4126-4129 doi: 10.1002/anie.200800283
29. [29]
  Ungur L, Van den Heuvel W, Chibotaru L F. New J. Chem. , 2009, 33(6): 1224-1230 doi: 10.1039/b903126j
30. [30]
  Chibotaru L F, Ungur L, Aronica C, Elmoll H, Pilet G, Luneau D. J. Am. Chem. Soc. , 2008, 130(37): 12445-12455 doi: 10.1021/ja8029416
31. [31]
  Sheldrick G M. SHELXS-97, Program for the Solution of Crystal Structures, University of Göttingen, Germany, 1997.
32. [32]
  WANG J L, ZHANG L J, MIAO F M. Journal of Tianjin Normal University, 1992(2): 36-42
33. [33]
  LIU X L, ZHANG L J, ZHOU Q F, MIAO F M, WANG R J, WANG H G, YAO X K. Chin. J. Struct. Chem. , 1995, 14(3): 219-223
34. [34]
  Alvarez S, Alemany P, Casanova D, Cirera J, Llunell M, Avnir D. Coord. Chem. Rev. , 2005, 249(17/18): 1693-1708
1. [1]
  Baohua LÜ , Yuzhen LI . Anisotropic photoresponse of two-dimensional layered α-In₂Se₃(2H) ferroelectric materials. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1911-1918. doi: 10.11862/CJIC.20240105
2. [2]
  Hongdao LI , Shengjian ZHANG , Hongmei DONG . Magnetic relaxation and luminescent behavior in nitronyl nitroxide-based annuluses of rare-earth ions. Chinese Journal of Inorganic Chemistry, 2024, 40(5): 972-978. doi: 10.11862/CJIC.20230411
3. [3]
  Yinling HOU , Jia JI , Hong YU , Xiaoyun BIAN , Xiaofen GUAN , Jing QIU , Shuyi REN , Ming FANG . A rhombic Dy₄-based complex showing remarkable single-molecule magnet behavior. Chinese Journal of Inorganic Chemistry, 2025, 41(3): 605-612. doi: 10.11862/CJIC.20240251
4. [4]
  Ran HUO , Zhaohui ZHANG , Xi SU , Long CHEN . Research progress on multivariate two dimensional conjugated metal organic frameworks. Chinese Journal of Inorganic Chemistry, 2024, 40(11): 2063-2074. doi: 10.11862/CJIC.20240195
5. [5]
  Yanglin Jiang , Mingqing Chen , Min Liang , Yige Yao , Yan Zhang , Peng Wang , Jianping Zhang . Experimental and Theoretical Investigations of Solvent Polarity Effect on ESIPT Mechanism in 4′-N,N-diethylamino-3-hydroxybenzoflavone. Acta Physico-Chimica Sinica, 2025, 41(2): 100012-. doi: 10.3866/PKU.WHXB202309027
6. [6]
  Liangzhen Hu , Li Ni , Ziyi Liu , Xiaohui Zhang , Bo Qin , Yan Xiong . A Green Chemistry Experiment on Electrochemical Synthesis of Benzophenone. University Chemistry, 2024, 39(6): 350-356. doi: 10.3866/PKU.DXHX202312001
7. [7]
  Jiaxi Xu , Yuan Ma . Influence of Hyperconjugation on the Stability and Stable Conformation of Ethane, Hydrazine, and Hydrogen Peroxide. University Chemistry, 2024, 39(11): 374-377. doi: 10.3866/PKU.DXHX202402049
8. [8]
  Supin Zhao , Jing Xie . Understanding the Vibrational Stark Effect of Water Molecules Using Quantum Chemistry Calculations. University Chemistry, 2025, 40(3): 178-185. doi: 10.12461/PKU.DXHX202406024
9. [9]
  Zhuoming Liang , Ming Chen , Zhiwen Zheng , Kai Chen . Multidimensional Studies on Ketone-Enol Tautomerism of 1,3-Diketones By ¹H NMR. University Chemistry, 2024, 39(7): 361-367. doi: 10.3866/PKU.DXHX202311029
10. [10]
  Jingwen Wang , Minghao Wu , Xing Zuo , Yaofeng Yuan , Yahao Wang , Xiaoshun Zhou , Jianfeng Yan . Advances in the Application of Electrochemical Regulation in Investigating the Electron Transport Properties of Single-Molecule Junctions. University Chemistry, 2025, 40(3): 291-301. doi: 10.12461/PKU.DXHX202406023
11. [11]
  Shiyang He , Dandan Chu , Zhixin Pang , Yuhang Du , Jiayi Wang , Yuhong Chen , Yumeng Su , Jianhua Qin , Xiangrong Pan , Zhan Zhou , Jingguo Li , Lufang Ma , Chaoliang Tan . 铂单原子功能化的二维Al-TCPP金属-有机框架纳米片用于增强光动力抗菌治疗. Acta Physico-Chimica Sinica, 2025, 41(5): 100046-. doi: 10.1016/j.actphy.2025.100046
12. [12]
  Mengfei He , Chao Chen , Yue Tang , Si Meng , Zunfa Wang , Liyu Wang , Jiabao Xing , Xinyu Zhang , Jiahui Huang , Jiangbo Lu , Hongmei Jing , Xiangyu Liu , Hua Xu . Epitaxial Growth of Nonlayered 2D MnTe Nanosheets with Thickness-Tunable Conduction for p-Type Field Effect Transistor and Superior Contact Electrode. Acta Physico-Chimica Sinica, 2025, 41(2): 100016-. doi: 10.3866/PKU.WHXB202310029
13. [13]
  Qi Wang , Yicong Gao , Feng Lu , Quli Fan . Preparation and Performance Characterization of the Second Near-Infrared Phototheranostic Probe: A New Design and Teaching Practice of Polymer Chemistry Comprehensive Experiment. University Chemistry, 2024, 39(11): 342-349. doi: 10.12461/PKU.DXHX202404141
14. [14]
  Lihui Jiang , Wanrong Dong , Hua Yang , Yongqing Xia , Hongjian Peng , Jun Yuan , Xiaoqian Hu , Zihan Zeng , Yingping Zou , Yiming Luo . Study on Extraction of p-Hydroxyacetophenone. University Chemistry, 2024, 39(11): 259-268. doi: 10.12461/PKU.DXHX202402056
15. [15]
  Yongpo Zhang , Xinfeng Li , Yafei Song , Mengyao Sun , Congcong Yin , Chunyan Gao , Jinzhong Zhao . Synthesis of Chlorine-Bridged Binuclear Cu(I) Complexes Based on Conjugation-Driven Cu(II) Oxidized Secondary Amines. University Chemistry, 2024, 39(5): 44-51. doi: 10.3866/PKU.DXHX202309092
16. [16]
  Yue Zhao , Yanfei Li , Tao Xiong . Copper Hydride-Catalyzed Nucleophilic Additions of Unsaturated Hydrocarbons to Aldehydes and Ketones. University Chemistry, 2024, 39(4): 280-285. doi: 10.3866/PKU.DXHX202309001
17. [17]
  Guojie Xu , Fang Yu , Yunxia Wang , Meng Sun . Introduction to Metal-Catalyzed β-Carbon Elimination Reaction of Cyclopropenones. University Chemistry, 2024, 39(8): 169-173. doi: 10.3866/PKU.DXHX202401060
18. [18]
  Yongqing Kuang , Jie Liu , Jianjun Feng , Wen Yang , Shuanglian Cai , Ling Shi . Experimental Design for the Two-Step Synthesis of Paracetamol from 4-Hydroxyacetophenone. University Chemistry, 2024, 39(8): 331-337. doi: 10.12461/PKU.DXHX202403012
19. [19]
  Shipeng WANG , Shangyu XIE , Luxian LIANG , Xuehong WANG , Jie WEI , Deqiang WANG . Piezoelectric effect of Mn, Bi co-doped sodium niobate for promoting cell proliferation and bacteriostasis. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1919-1931. doi: 10.11862/CJIC.20240094
20. [20]
  Yaling Chen . Basic Theory and Competitive Exam Analysis of Dynamic Isotope Effect. University Chemistry, 2024, 39(8): 403-410. doi: 10.3866/PKU.DXHX202311093

Get Citation

PDF

XML

Metrics

PDF Downloads(11)
Abstract views(1285)
HTML views(361)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142