Synthesis, Structures and Density of State of Oxalate-bridged Dinuclear Cd(Ⅱ) Complex: [Cd2(phen)2ox(NO3)2 (H2O)2]

Chem. J. Chinese Universities ›› 2011, Vol. 32 ›› Issue (6): 1250.

• Articles • Previous Articles Next Articles

Synthesis, Structures and Density of State of Oxalate-bridged Dinuclear Cd(Ⅱ) Complex: [Cd2(phen)2ox(NO3)2 (H2O)2]

ZHANG Jiao-Qiang^1*, YAN Biao², MA Hai-Xia^2*

1. Key Laboratory of Applied Physics and Chemistry in Space, Ministry of Education, Department of Applied Chemistry, School of Science, Northwestern Polytechnical University, Xi’an 710072, China;
2. Shaanxi Key Laboratory of Physico\|Inorganic Chemistry, College of Chemical Engineering, Northwest University, Xi’an 710069, China

Received:2010-09-13 Revised:2011-03-09 Online:2011-06-10 Published:2011-05-10
Contact: ZHANG Jiao-Qiang;MA Hai-Xia E-mail:zhangjq@nwpu.edu.cn;mahx@nwu.edu.cn
Supported by:
国家自然科学基金(批准号: 21073141)资助.

Abstract

Abstract: A dinuclear Cd(Ⅱ) complex [Cd2(phen)2OX(NO3)2(H2O)2] was synthesized by mixing potassium oxalate(K2OX?H2O), cadmium nitrate(Cd(NO3)2?4H2O) and 1,10-phenanthroline(phen) in methanol-water solution. The structure was characterized by X-ray single-crystal diffraction analysis. It belongs to triclinic system, space group with P-1 with a = 0.67629(14) nm, b = 1.0051(2) nm, c = 1.0527(2) nm, α = 109.19(3)°, β = 92.12(3)°, γ = 93.48(3)°, V = 0.6733(2) nm3, Z = 1, D = 2.055 g?cm-3, F(000) = 410, μ = 1.660 mm-1, R = 0.0445, wR = 0.0877. The analytical results indicate that it is an oxalate-bridged dinuclear Cd(Ⅱ) complex, the midpoint of carbon-carbon bond of oxalate is the center of inversion for the complex, Cd(Ⅱ) cation coordinates with OX2-, phen, NO3- and H2O. The crystal field theory was used to calculate density of state (DOS) for the complex, analysis shows that NO3- and phen have important influence on the properties of the complex.

Key words: Dinuclear cadmium(II) complex, oxalate-bridged, 1,10-phenanthroline, crystal structure, density of state

CLC Number:

O614.24

TrendMD:

References

[1]游效曾，孟庆金，韩万书. 配位化学进展[M]. 北京：高等教育出版社，2000. [2]杨频，高飞. 生物无机化学原理[M]. 北京：科学出版社,2002. [3]唐磊，廖代正，姚心侃. 设计功能性多核配合物的一种重要桥基-1,2-二硫代草酸根[J]. 化学研究与应用， 1995， 7 (1)：8-15. [4] Julve M., Faus J., Verdaguer M., Gleizes A.. Copper(II), a chemical Janus: two different (oxalato)(bipyridyl) copper(II) complexes in one single crystal. Structure and magnetic properties[J]. J Am Chem Soc, 1984, 106(26): 8306-8308. [5] Castillo O., Muga I., Luque A., Gutiérrez-Zorrilla J. M., Sertucha J., Vitoria P., Román P.. Synthesis, chemical characterization, X-ray crystal structure and magnetic properties of oxalato-bridged copper(II) binuclear complexes with 2,2'-bipyridine and diethylenetriamine as peripheral ligands[J]. Polyhedron, 1999, 18(8-9): 1235-1245. [6] Borel C., Davies K., Handa P., Hedberg G., Oliver C. L., Bourne S. A., H?kansson M., Langer V., ?hrstr?m L.. Family of Isoreticular Chiral Metal-Organic Frameworks Based on Coordination and Hydrogen Bonds in [M[Co(ethylenediamine)(oxalato)2]2][J]. Cryst Growth Des, 2010, 10(4): 1971-1978 [7] Vaidhyanathan R., Neeraj S., Prasad P. A., Natarajan S., Rao C. N. R.. Fascinating Alkali Halide Structures of Different Dimensionalities Incorporated in Host Lattices[J]. Angew Chem Int Ed 2000,39(19): 3470-3473 [8]Chen X. L.， Han Z. X., Hu H. M., Wang J. J.， Chen S. H., Fu F., Li N., Yang M. L., Xue G. L.. Assembly of two novel cadmium(II) supramolecular architectures constructed from pyridine-functionalized 1,10-phenanthroline ligand[J]. Inorg Chim Acta 2009, 362(11): 3963-3968. [9]Coronado E., Clemente-León M., Galán-Mascarós J. R., Giménez-Saiz C., Gómez-García C.J., Martínez-Ferrero E.. Design of molecular materials combining magnetic, electrical and optical properties [J]. Dalton Trans, 2000, (21): 3955-3961. [10] Vanderbilt D.. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism[J]. Phys Rev B , 1990, 41(11): 7892-7895. [11] Fischer T. H., Alml?f J. General methods for geometry and wave function optimization[J]. J Phys Chem, 1992, 96(24): 9768-9774. [12] Perdew J. P., Burke K., Ernzerhof M.. Generalized gradient approximation made simple[J]. Phys Rev Lett, 1996, 77(18): 3865-3868.

Related Articles 15

[1]	LIU Qingqing, WANG Pu, WANG Yongshuai, ZHAO Man, DONG Huanli. Synthesis and Topochemical Polymerization Study of Naphthalene/perylene Imides Substituted Diacetylene Derivatives [J]. Chem. J. Chinese Universities, 2022, 43(6): 20220091.
[2]	SHI Naike, ZHANG Ya, SANSON Andrea, WANG Lei, CHEN Jun. Uniaxial Negative Thermal Expansion and Mechanism in Zn（NCN） [J]. Chem. J. Chinese Universities, 2022, 43(6): 20220124.
[3]	YUE Shengli, WU Guangbao, LI Xing, LI Kang, HUANG Gaosheng, TANG Yi, ZHOU Huiqiong. Research Progress of Quasi-two-dimensional Perovskite Solar Cells [J]. Chem. J. Chinese Universities, 2021, 42(6): 1648.
[4]	ZENG Yonghui, YAN Tianying. Vibrational Density of States Analysis of Proton Hydration Structure [J]. Chem. J. Chinese Universities, 2021, 42(6): 1855.
[5]	TIAN Xia,YANG Fuqun,YUAN Wei,ZHAO Lei,YAO Lei,ZHEN Xiaoli,HAN Jianrong,LIU Shouxin. Synthesis, Structure and Recognition Properties of Macrocyclic Crown Ethers with Oxadiazole ^† [J]. Chem. J. Chinese Universities, 2020, 41(3): 490.
[6]	LIU Dongmei,SU Yajing,LI Shanshan,XU Qiwei,LI Xia. Transition Metal Coordination Polymers Constructed by 4-(4-Carboxyphenoxy)isophthalic Acid: Synthesis, Crystal Structure, Fluorescence Sensing and Photocatalysis ^† [J]. Chem. J. Chinese Universities, 2020, 41(2): 253.
[7]	QIN Liulei,LIU Yang,GUAN Xiaoqin,ZHENG Xiaoyuan,ZHANG Ziyu,LIU Zunqi. Synthesis and Switchable Dielectric Properties of an Inorganic-organic Hybrid Complex [H₂(DABCO)CuCl₄]·H₂O ^† [J]. Chem. J. Chinese Universities, 2020, 41(1): 70.
[8]	LI Bing,WANG Xuemin,BAI Fengying,LIU Shuqing. Synthesises, Structures and Antibacterial Activities of a Series of Rare Earth Nitrogen Heterocyclic Complexes^† [J]. Chem. J. Chinese Universities, 2019, 40(4): 632.
[9]	WANG Dongmei,LIU Zihua,LI Guanghua,LIU Yunling,LI Chunxia. Synthesis, Structure and Fluorescent Property of Indium-based Bimetallic Metal-organic Frameworks^† [J]. Chem. J. Chinese Universities, 2018, 39(9): 1886.
[10]	TIAN Huan, ZHANG Menglong, WANG Lisha, TONG Bihai, ZHAO Zhuo. Synthesis of 4,13-Dithio Benzene and-18-Crown-6 and Its Selective Extractability on A $g + †$ [J]. Chem. J. Chinese Universities, 2018, 39(6): 1191.
[11]	ZHU Lei,HAN Junyan,CHANG Haizhen,QIU Yuyuan,ZHANG Yanan,PENG Danni,HU Wei,MIAO Shaobin. Different Pathways for the Cyclocondensation Reactions of 1,2-Diamine and 1,2-Diketone^† [J]. Chem. J. Chinese Universities, 2018, 39(12): 2686.
[12]	LI Zheng, LI Rui, LI Xia. Synthesis, Crystal Structure and Fluorescent Properties of Transition Metal Complexes Constructed with 2-(3'-Carboxyphenoxy)benzoic Acid and N-Donor Ligands^† [J]. Chem. J. Chinese Universities, 2018, 39(11): 2363.
[13]	CHEN Qidan, TANG Junjie, FANG Qianrong. Highly Stable Fluorine Containing Hierarchical Porous Covalent Organic Framework^† [J]. Chem. J. Chinese Universities, 2018, 39(11): 2357.
[14]	YUN Jixing,HU Zhili,LI Yumeng,JIN Jing,CHEN Chong,YAN Xin,LIU Yonghua,DING Yu,CHI Yuxian,NIU Shuyun. Synthesis, Structure and Photoelectric Property of A Series of Ni(Ⅱ) Complexes Constructed Through Aromatic Carboxylic Ligands^† [J]. Chem. J. Chinese Universities, 2018, 39(10): 2161.
[15]	TAN Ying, XIAO Mengwu, YE Jiao, HU Aixi, ZENG Ziqing, OU Xiaoming. Synthesis, Crystal Structure and Fungicidal Activity of (Z)-3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one O-[(5-Aryl-1,3,4-oxadiazol-2-yl)methyl] oxime [J]. Chem. J. Chinese Universities, 2017, 38(8): 1375.

Synthesis, Structures and Density of State of Oxalate-bridged Dinuclear Cd(Ⅱ) Complex: [Cd2(phen)2ox(NO3)2 (H2O)2]

PDF (PC)

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 15

Recommended Articles

Metrics

Comments