Citation: ZHANG Qi, YU Liang-Min, XIA Shu-Wei, LI Xia, YAN Xing-Chen, NI Chun-Hua. Syntheses, Crystal Structures and Theoretical Calculation of Two Dinuclear Copper(Ⅱ) Complexes with Methoxybenzoic Acids Ligands[J]. Chinese Journal of Inorganic Chemistry, ;2015, (3): 585-593. doi: 10.11862/CJIC.2015.086 shu

Syntheses, Crystal Structures and Theoretical Calculation of Two Dinuclear Copper(Ⅱ) Complexes with Methoxybenzoic Acids Ligands

ZHANG Qi ¹ ,
YU Liang-Min ^1,2 ,
XIA Shu-Wei ¹ ,
LI Xia ^1,2 ,
YAN Xing-Chen ¹ ,
NI Chun-Hua ¹

1.
1 Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, Ocean University of China, Qingdao, Shandong 266100, China;
2.
2 Qingdao colobrative innovation center of marine science and technology, Ocean University of China, Qingdao, Shandong 266100, China

Received Date: 13 October 2014
Available Online: 23 December 2014
Fund Project: 国家自然科学基金(No.51003099、51102219) (No.51003099、51102219) 中国海洋大学青年教师专项基金(No.201013017、201113024) (No.201013017、201113024) 国家科技支撑计划 (No.2012BAB15B02)资助项目。 (No.2012BAB15B02)

Two complexes, Cu₂(L₁)₄(CH₃OH)₂ (1) and Cu₂(L₂)₄(CH₃OH)₂ (2) (HL1=2-methoxybenzoic acid, HL₂=2,3-dimethoxybenzoic acid) were synthesized and characterized by IR spectorscopy, elemental analysis, X-ray powder and X-ray single-crystal diffraction. Complex 1 crystallizes in monoclinic, space group P2₁/n; Complex 2 crystallizes in triclinic, space group P1. Both of the complexes have dinuclear structure, consisting of two Cu(Ⅱ) cations, four L ligands and two methanol ligands molecules, in which the L ligands are coordinated with copper cations by bidentate bridging coordination mode. The thermal stability of the complexes was investigated, and theoretical study of the complexes was carried out by Density Functional Theory(DFT) B3LYP method using Gaussian 09 program.
- methoxybenzoic acid;dinuclear copper(Ⅱ) complex;crystal structure;quantum chemistry calculation
1. [1]
  [1] Guo F, Wang F, Yang H, et al. Inorg. Chem., 2012,51(18): 9677-9682
2. [2]
  [2] Xu J K, Sun X C, Ju C X, et al. J. Coord. Chem., 2013,66 (14):2541-2548
3. [3]
  [3] Lin J D, Jia C C, Li Z H, et al. Inorg. Chem. Commun., 2009,12(6):558-562
4. [4]
  [4] TANG Si-Ping(唐斯萍), XU Zhi-Feng(许志锋), FENG Yong-Lan(冯泳兰), et al. Chinese J. Inorg. Chem.(无机化学学报), 2013,29(12):2683-2687
5. [5]
  [5] Wang X L, Lin H Y, Liu G C, et al. J. Organomet. Chem., 2008,693(16):2767-2774
6. [6]
  [6] Qu H, Qiu L, Leng X K, et al. Inorg. Chem. Commun., 2011, 14(9):1347-1351
7. [7]
  [7] Qin L, Liu L W, Du X, et al. Transition Met. Chem., 2013, 38(1):85-91
8. [8]
  [8] Ma L F, Han M L, Qin J H, et al. Inorg. Chem., 2012,51 (17):9431-9442
9. [9]
  [9] LI Hai-Hua(李海华), ZHOU Xiao-Xia(周晓霞), YOU Zhong-Lu(由忠录). Chinese J. Inorg. Chem.(无机化学学报), 2013,29(3):649-653
10. [10]
  [10] Mostafa M H K, Eglal R S, Eman H I, et al. Chinese J. Inorg. Chem.(无机化学学报), 2013,29(9):1969-1978
11. [11]
  [11] Huxford R C, Rocca J D, Lin W. Curr. Opin. Chem. Biol., 2010,14(2):262-268
12. [12]
  [12] Haribabu P, Patil Y P, Reddy K H, et al. Transition Met. Chem., 2011,36(8):867-874
13. [13]
  [13] WU Gang(吴刚), WANG Xiao-Feng(王小锋), XIAN Hua(鲜华), et al. Chinese J. Inorg. Chem.(无机化学学报), 2010,26 (7):1315-1318
14. [14]
  [14] Ke C H, Lin G R, Kuo B C, et al. Cryst. Growth Des., 2012, 12(7):3758-3765
15. [15]
  [15] TANG Si-Ping(唐斯萍), ZHANG Shao-Hua(张少华), YANG Ying-Qun(杨颖群). Chinese J. Inorg. Chem.(无机化学学报), 2013,29(11):2465-2469
16. [16]
  [16] Yang W B, Lin X, Blake A J, et al. Inorg. Chem., 2009,48 (23):11067-11078
17. [17]
  [17] Soltani B, Sadr M H, Engle J T, et al. Transition Met. Chem., 2012,37(8):687-694
18. [18]
  [18] Lin H Y, Mu B, Wang X L, et al. J. Organomet. Chem., 2012,702:36-44
19. [19]
  [19] SHI Zhi-Qiang(石志强), JI Ning-Ning(季宁宁), HE Guo-Fang(何国芳), et al. Chinese J. Inorg. Chem.(无机化学学报), 2012,28(6):1279-1285
20. [20]
  [20] He H S, Zhong Y H, Si L P, et al. Inorg. Chim. Acta, 2011, 378(1):30-35
21. [21]
  [21] Jana M S, Pramanik A K, Sarkar D, et al. Polyhedron, 2014, 81:66-73
22. [22]
  [22] Sheldrick G M. SADABS, Program for Empirical Absorption Correction of Area Detector Data, University of Göttingen, Germany, 1996.
23. [23]
  [23] Sheldrick G M. SHELXS-97, Program for the Solution of Crystal Structures, University of Göttingen, Germany, 1997.
24. [24]
  [24] Sheldrick G M. SHELXL-97, Program for the Refinement of Crystal Structures, University of Göttingen, Germany, 1997.
25. [25]
  [25] Zhao L L, Luo X Z, Xu L, et al. Inorg. Chem. Commun., 2010,13(4):554-557
26. [26]
  [26] Yang Q, Zhang X F, Zhao J P, et al. Cryst. Growth Des., 2011,11(7):2839-2845
27. [27]
  [27] Kamiński R, Kowalski J, Mames I, et al. Eur. J. Inorg. Chem., 2011,2011(4):479-488
28. [28]
  [28] Santana A M, Ferreira J G, Moro A C, et al. Inorg. Chem. Commun., 2011,14(1):83-86
1. [1]
  Hexing SONG , Zan SUN . Synthesis, crystal structure, Hirshfeld surface analysis, and fluorescent sensing for Fe³⁺ of an Mn(Ⅱ) complex based on 1-naphthalic acid. Chinese Journal of Inorganic Chemistry, 2025, 41(5): 885-892. doi: 10.11862/CJIC.20240402
2. [2]
  Yahui HAN , Jinjin ZHAO , Ning REN , Jianjun ZHANG . Synthesis, crystal structure, thermal decomposition mechanism, and fluorescence properties of benzoic acid and 4-hydroxy-2, 2′: 6′, 2″-terpyridine lanthanide complexes. Chinese Journal of Inorganic Chemistry, 2025, 41(5): 969-982. doi: 10.11862/CJIC.20240395
3. [3]
  Yan Liu , Yuexiang Zhu , Luhua Lai . Introduction to Blended and Small-Class Teaching in Structural Chemistry: Exploring the Structure and Properties of Crystals. University Chemistry, 2024, 39(3): 1-4. doi: 10.3866/PKU.DXHX202306084
4. [4]
  Haitang WANG , Yanni LING , Xiaqing MA , Yuxin CHEN , Rui ZHANG , Keyi WANG , Ying ZHANG , Wenmin WANG . Construction, crystal structures, and biological activities of two Ln^Ⅲ₃ complexes. Chinese Journal of Inorganic Chemistry, 2024, 40(8): 1474-1482. doi: 10.11862/CJIC.20240188
5. [5]
  Changqing MIAO , Fengjiao CHEN , Wenyu LI , Shujie WEI , Yuqing YAO , Keyi WANG , Ni WANG , Xiaoyan XIN , Ming FANG . Crystal structures, DNA action, and antibacterial activities of three tetranuclear lanthanide-based complexes. Chinese Journal of Inorganic Chemistry, 2024, 40(12): 2455-2465. doi: 10.11862/CJIC.20240192
6. [6]
  Jing WU , Puzhen HUI , Huilin ZHENG , Pingchuan YUAN , Chunfei WANG , Hui WANG , Xiaoxia GU . Synthesis, crystal structures, and antitumor activities of transition metal complexes incorporating a naphthol-aldehyde Schiff base ligand. Chinese Journal of Inorganic Chemistry, 2024, 40(12): 2422-2428. doi: 10.11862/CJIC.20240278
7. [7]
  Hongjie SHEN , Haozhe MIAO , Yuhe YANG , Yinghua LI , Deguang HUANG , Xiaofeng ZHANG . Synthesis, crystal structure, and fluorescence properties of two Cu(Ⅰ) complexes based on pyridyl ligand. Chinese Journal of Inorganic Chemistry, 2025, 41(5): 855-863. doi: 10.11862/CJIC.20250009
8. [8]
  Xinting XIONG , Zhiqiang XIONG , Panlei XIAO , Xuliang NIE , Xiuying SONG , Xiuguang YI . Synthesis, crystal structures, Hirshfeld surface analysis, and antifungal activity of two complexes Na(Ⅰ)/Cd(Ⅱ) assembled by 5-bromo-2-hydroxybenzoic acid ligands. Chinese Journal of Inorganic Chemistry, 2024, 40(9): 1661-1670. doi: 10.11862/CJIC.20240145
9. [9]
  Huiying Xu , Minghui Liang , Zhi Zhou , Hui Gao , Wei Yi . Application of Quantum Chemistry Computation and Visual Analysis in Teaching of Weak Interactions. University Chemistry, 2025, 40(3): 199-205. doi: 10.12461/PKU.DXHX202407011
10. [10]
  Xueli Mu , Lingli Han , Tao Liu . Quantum Chemical Calculation Study on the E2 Elimination Reaction of Halohydrocarbon: Designing a Computational Chemistry Experiment. University Chemistry, 2025, 40(3): 68-75. doi: 10.12461/PKU.DXHX202404057
11. [11]
  Yingchun ZHANG , Yiwei SHI , Ruijie YANG , Xin WANG , Zhiguo SONG , Min WANG . Dual ligands manganese complexes based on benzene sulfonic acid and 2, 2′-bipyridine: Structure and catalytic properties and mechanism in Mannich reaction. Chinese Journal of Inorganic Chemistry, 2024, 40(8): 1501-1510. doi: 10.11862/CJIC.20240078
12. [12]
  Yuxin CHEN , Yanni LING , Yuqing YAO , Keyi WANG , Linna LI , Xin ZHANG , Qin WANG , Hongdao LI , Wenmin WANG . Construction, structures, and interaction with DNA of two Sm^Ⅲ₄ complexes. Chinese Journal of Inorganic Chemistry, 2025, 41(6): 1141-1150. doi: 10.11862/CJIC.20240258
13. [13]
  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
14. [14]
  Xin MA , Ya SUN , Na SUN , Qian KANG , Jiajia ZHANG , Ruitao ZHU , Xiaoli GAO . A Tb₂ complex based on polydentate Schiff base: Crystal structure, fluorescence properties, and biological activity. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1347-1356. doi: 10.11862/CJIC.20230357
15. [15]
  Jinfeng Chu , Lan Jin , Yu-Fei Song . Exploration and Practice of Flipped Classroom in Inorganic Chemistry Experiment: a Case Study on the Preparation of Inorganic Crystalline Compounds. University Chemistry, 2024, 39(2): 248-254. doi: 10.3866/PKU.DXHX202308016
16. [16]
  Xiaowei TANG , Shiquan XIAO , Jingwen SUN , Yu ZHU , Xiaoting CHEN , Haiyan ZHANG . A zinc complex for the detection of anthrax biomarker. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1850-1860. doi: 10.11862/CJIC.20240173
17. [17]
  Weina Wang , Fengyi Liu , Wenliang Wang . “Extracting Commonality, Delving into Typicals, Deriving Individuality”: Constructing a Knowledge Graph of Crystal Structures. University Chemistry, 2024, 39(3): 36-42. doi: 10.3866/PKU.DXHX202308029
18. [18]
  Junqiao Zhuo , Xinchen Huang , Qi Wang . Symbol Representation of the Packing-Filling Model of the Crystal Structure and Its Application. University Chemistry, 2024, 39(3): 70-77. doi: 10.3866/PKU.DXHX202311100
19. [19]
  Aili Feng , Xin Lu , Peng Liu , Dongju Zhang . Computational Chemistry Study of Acid-Catalyzed Esterification Reactions between Carboxylic Acids and Alcohols. University Chemistry, 2025, 40(3): 92-99. doi: 10.12461/PKU.DXHX202405072
20. [20]
  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

Get Citation

PDF

XML

Metrics

PDF Downloads(0)
Abstract views(305)
HTML views(31)

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