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]
  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
2. [2]
  Xiaoling LUO , Pintian ZOU , Xiaoyan WANG , Zheng LIU , Xiangfei KONG , Qun TANG , Sheng WANG . Synthesis, crystal structures, and properties of lanthanide metal-organic frameworks based on 2, 5-dibromoterephthalic acid ligand. Chinese Journal of Inorganic Chemistry, 2024, 40(6): 1143-1150. doi: 10.11862/CJIC.20230271
3. [3]
  Juntao Yan , Liang Wei . 2D S-Scheme Heterojunction Photocatalyst. Acta Physico-Chimica Sinica, 2024, 40(10): 2312024-. doi: 10.3866/PKU.WHXB202312024
4. [4]
  Chunmei GUO , Weihan YIN , Jingyi SHI , Jianhang ZHAO , Ying CHEN , Quli FAN . Facile construction and peroxidase-like activity of single-atom platinum nanozyme. Chinese Journal of Inorganic Chemistry, 2024, 40(9): 1633-1639. doi: 10.11862/CJIC.20240162
5. [5]
  Jingjing QING , Fan HE , Zhihui LIU , Shuaipeng HOU , Ya LIU , Yifan JIANG , Mengting TAN , Lifang HE , Fuxing ZHANG , Xiaoming ZHU . Synthesis, structure, and anticancer activity of two complexes of dimethylglyoxime organotin. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1301-1308. doi: 10.11862/CJIC.20240003
6. [6]
  Xiaoning TANG , Shu XIA , Jie LEI , Xingfu YANG , Qiuyang LUO , Junnan LIU , An XUE . Fluorine-doped MnO₂ with oxygen vacancy for stabilizing Zn-ion batteries. Chinese Journal of Inorganic Chemistry, 2024, 40(9): 1671-1678. doi: 10.11862/CJIC.20240149
7. [7]
  Cheng PENG , Jianwei WEI , Yating CHEN , Nan HU , Hui ZENG . First principles investigation about interference effects of electronic and optical properties of inorganic and lead-free perovskite Cs₃Bi₂X₉ (X=Cl, Br, I). Chinese Journal of Inorganic Chemistry, 2024, 40(3): 555-560. doi: 10.11862/CJIC.20230282
8. [8]
  Kexin Dong , Chuqi Shen , Ruyu Yan , Yanping Liu , Chunqiang Zhuang , Shijie Li . Integration of Plasmonic Effect and S-Scheme Heterojunction into Ag/Ag₃PO₄/C₃N₅ Photocatalyst for Boosted Photocatalytic Levofloxacin Degradation. Acta Physico-Chimica Sinica, 2024, 40(10): 2310013-. doi: 10.3866/PKU.WHXB202310013
9. [9]
  Yang YANG , Pengcheng LI , Zhan SHU , Nengrong TU , Zonghua WANG . Plasmon-enhanced upconversion luminescence and application of molecular detection. Chinese Journal of Inorganic Chemistry, 2024, 40(5): 877-884. doi: 10.11862/CJIC.20230440
10. [10]
  Yuhao SUN , Qingzhe DONG , Lei ZHAO , Xiaodan JIANG , Hailing GUO , Xianglong MENG , Yongmei GUO . Synthesis and antibacterial properties of silver-loaded sod-based zeolite. Chinese Journal of Inorganic Chemistry, 2024, 40(4): 761-770. doi: 10.11862/CJIC.20230169
11. [11]
  Jie ZHAO , Sen LIU , Qikang YIN , Xiaoqing LU , Zhaojie WANG . Theoretical calculation of selective adsorption and separation of CO₂ by alkali metal modified naphthalene/naphthalenediyne. Chinese Journal of Inorganic Chemistry, 2024, 40(3): 515-522. doi: 10.11862/CJIC.20230385
12. [12]
  Fan JIA , Wenbao XU , Fangbin LIU , Haihua ZHANG , Hongbing FU . Synthesis and electroluminescence properties of Mn²⁺ doped quasi-two-dimensional perovskites (PEA)₂Pb_yMn_1-yBr₄. Chinese Journal of Inorganic Chemistry, 2024, 40(6): 1114-1122. doi: 10.11862/CJIC.20230473
13. [13]
  Yufang GAO , Nan HOU , Yaning LIANG , Ning LI , Yanting ZHANG , Zelong LI , Xiaofeng LI . Nano-thin layer MCM-22 zeolite: Synthesis and catalytic properties of trimethylbenzene isomerization reaction. Chinese Journal of Inorganic Chemistry, 2024, 40(6): 1079-1087. doi: 10.11862/CJIC.20240036
14. [14]
  Yonghui ZHOU , Rujun HUANG , Dongchao YAO , Aiwei ZHANG , Yuhang SUN , Zhujun CHEN , Baisong ZHU , Youxuan ZHENG . Synthesis and photoelectric properties of fluorescence materials with electron donor-acceptor structures based on quinoxaline and pyridinopyrazine, carbazole, and diphenylamine derivatives. Chinese Journal of Inorganic Chemistry, 2024, 40(4): 701-712. doi: 10.11862/CJIC.20230373
15. [15]
  Yan LIU , Jiaxin GUO , Song YANG , Shixian XU , Yanyan YANG , Zhongliang YU , Xiaogang HAO . Exclusionary recovery of phosphate anions with low concentration from wastewater using a CoNi-layered double hydroxide/graphene electronically controlled separation film. Chinese Journal of Inorganic Chemistry, 2024, 40(9): 1775-1783. doi: 10.11862/CJIC.20240043

Get Citation

PDF

XML

Metrics

PDF Downloads(7)
Abstract views(965)
HTML views(253)

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