Citation: SONG Ge, SUN Qiao, HOU Ya-Nan, ZHAN Rui, WEI Dong-Ming, SHI Zhan, XING Yong-Heng. Synthesis, Structure and Quantum Chemistry Study of the 4-Iodopyrazole Copper Complexes[J]. Chinese Journal of Inorganic Chemistry, ;2013, 29(10): 2150-2156. doi: 10.3969/j.issn.1001-4861.2013.00.302 shu

Synthesis, Structure and Quantum Chemistry Study of the 4-Iodopyrazole Copper Complexes

1.
1 College of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian, Liaoning 116029, China;

Received Date: 29 October 2012
Available Online: 4 May 2013
Fund Project: 国家自然科学基金(No.21071071) (No.21071071)无机合成与制备化学国家重点实验室(吉林大学)开放课题基金(No.2013-05)资助项目 (吉林大学)开放课题基金(No.2013-05)

Two novel structural copper complexes: [Cu₃(Ipz)₃] (1) and [Cu(SO₄)(Ipz)₄]·2H₂O·CH₃OH (2) were synthesized by the hydrothermal reaction and the solution method, respectively. The complexes were characterized by elemental analysis, IRspectroscopy, UVspectrum and single crystal X-ray diffraction. Structural analyses have revealed that the complex 1 is crystallized in the orthorhombic system with Pnma space group. The complex 2 is crystallized in the Triclinic system with P1 space group. In the structure of the two complexes, the oxidation state of Cu atoms are +1 and +2, respectively, the coordinate environment of the metal and the coordinate model of the ligand are absolutely different. In the complex 1, copper is a two coordination atom, connected with ligand forming a nine-membered ring. However, the complex 2 is a six coordination atom, using coordinate sulfate group to form an infinite chain. Additionally, by using the quantum chemistry method electronic characteristic of the two complexes were performed, in the mean time, the luminescent spectrum of complex 1 was analyzed. CCDC: 900585, 1; 900586, 2.
- copper complex; synthesis; structure; quantum chemistry study
1. [1]
  [1] Patel M V, Bell R, Majest S, et al. Org. Chem., 2004,69: 7058-7065 [2] Morimoto K M, Makino K, Yamamoto S, et al. Adv. Heterocycl. Chem., 1990,27:807-810 [3] Nasr M N A, Said S A. Arch. Pharm. Med. Chem., 2003, 336:551-559 [4] Gupta S, Barik A K, Pal S, et al. Polyhedron, 2007,26:133- 141 [5] ?魻zdemir Z, Kandilci H B, Gümüsel B, et al. Eur. J. Med. Chem., 2007,42:373-379 [6] WEI Dong-Ming(魏东明), DONG Bin(董斌), LI Zhang-Peng (李章鹏), et al. Chinese J. Inorg. Chem.(Wuji Huaxue Xuebao), 2011,27(5):891-897 [7] Fujisawa K, Lehnert N, Ishikawa Y, et al. Angew. Chem. Int. Ed., 2004,43:4944-4947 [8] Dias H V R, Singh S, Campana C F. Inorg. Chem., 2008,47: 3943-3945 [9] WANG Xin-Yu(王欣羽), LI Zhen(李桢), SUN Qiao(孙巧), et al. Chinese J. Inorg. Chem.(Wuji Huaxue Xuebao), 2012, 28(3):483-490 [10]XING Yong-Heng(邢永恒), ZHANG Yuan-Hong(张元红), XU Yong-Ting(徐永廷), et al. Chin. Sci. Bull.(Kexue Tongbao), 2006,51:2189-2196 [11]Day J, Marriott K E R, Kilner C A, et al. New J. Chem., 2010,34:52-60 [12]Adams C J, Haddow M F, Hughes R J I, et al. Dalton Trans., 2010,39:3714-3724 [13]Casarin M, Corvaja C, Nicola C D, et al. Inorg. Chem., 2004,43:5865-5876 [14]Nicola C D, Garau F, Gazzano M, et al. Cryst. Growth Des., 2010,10:3120-3131 [15]Dias H V R, Polach S A, Wang Z. J. Fluorine Chem., 2000, 103:163-169 [16]Carrillo M R, Chakraborty I, Raptis R G. Cryst. Growth Des., 2010,10:2606-2612 [17]Sheldrick G M. SHELX-97, Program for Crystal Structure Analysis, University of Gottingen, Gottingen, Germany, 1997. [18]Fujisawa K, Iwamoto H, Tobita K, et al. Inorg. Chim. Acta, 2009,362:4500-4509 [19]Dias H V R, Diyabalanage H V K, Eldabaja M G, et al. J. Am. Chem. Soc., 2005,127:7489-7501 [20]Hu M H, Shen G L, Zhang J X, et al. Cryst. Growth Des., 2009,9:4533-4537 [21]Frisch M J T, Schlegel G W, Scuseria H B, et al. Gaussian 09, Revision A.1, Gaussian, Inc., Wallingford CT, 2009. [22]Dreizler R M, Gross E U K. Density Functional Theory. Heidelberg, Germany: Springer-Verlag, 1990. [23]Lee C T, Yang W T, Parr R G. Phys. Rev. B, 1988,37:785- 789 [24]Delley B. J. Chem. Phys., 1990,92:508-517 [25]Delley B. J. Chem. Phys., 2000,113:7756-7764 [26]Perdew J P, Wang Y. Phys. Rev. B, 1992,45:13244-13249
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沈阳化工大学材料科学与工程学院沈阳 110142