| Structural and Spectroscopic Studies on [Cu（DACH）2（H2O）]—Cl2（DACH—1,4—Diazacycloheptane） |
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| 引用本文： | GUO，Ya－Mei BU，Xian－He 等.Structural and Spectroscopic Studies on [Cu（DACH）2（H2O）]—Cl2（DACH—1,4—Diazacycloheptane）[J].中国化学,2002,20(1):29-33. |
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| 作者姓名： | GUO，Ya－Mei BU，Xian－He |
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| 作者单位： | [1]DepartmentofChemistry，NankaiUniversity,Tianjin300071,China [2]StateKeyLaboratoryofStructuralChemistry,FujianInstituteofResearchontheStructureofMatter,ChineseAcademyofSciences,Fuzhou |
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| 基金项目： | theNationalNaturalScienceFoundationofChina (No .2 99710 19)andtheTrans CenturyTalentsTrainingProgramFoundationfromtheStateEducationMinistryofChina |
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| 摘 要： | A penta-coordinated Cu(Ⅱ） complex with 1,4-diazacycloheptane (DACH),Cu(DACH)2(H2O)]Cl2(1),has been synthesized and characterized by X-ray diffraction,IR spectra,elemental analyses,thermal analyses,UV-Vis and ESR techniques.Complex 1 crystallizes in orthorhombic crystal system,Pbcn space group with a=1.6075(4),b=1.0539(3),c=0.9195(3)nm,V=1.5578(7)nm^3,Mr=352.79,Z=4,Dc=1.487g/cm^3,final R=0.0451 and wR=0.1294.The structure of 1 indicates that the central Cu(Ⅱ） atom is penta-coordinated by four nitrogen aboms of two DACH moieties at the equatorial positions and a water molecule at the axis position.The coordination geometry of Cu(Ⅱ） could be considered as an approximately ideal square-pyramidal environment.Both DACH rings arrange in cis-form and are predominantly in the boat-boat conformation (80%) with some disorder to the chair-chair conformation (20%).The Cl^- anions are hydrogen bonded with the nitrogen donors of the DACH rings and the oxygen donor of the coordinated H2O molecule to form a one-dimensional zigzag linear structure. The solution behaviors of 1 are also discussed in detail by Uvvis and ESR technique.
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| 关 键 词： | 结构 光谱分析 二氯化－水二（1，4－二氮杂环庚烷）铜 |
Structural and Spectroscopic Studies on [Cu(DACH)_2(H_2O)]-Cl_2 (DACH=1,4-Diazacycloheptane) |
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| GUO,Ya-Mei DU,Miao BU,Xian-He a.Structural and Spectroscopic Studies on [Cu(DACH)_2(H_2O)]-Cl_2 (DACH=1,4-Diazacycloheptane)[J].Chinese Journal of Chemistry,2002,20(1):29-33. |
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| Authors: | GUO Ya-Mei DU Miao BU Xian-He a |
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| Affiliation: | GUO,Ya-Mei DU,Miao BU,Xian-He a Department of Chemistry,Nankai University,Tianjin 300071,China b State Key Laboratory of Structural Chemistry,Fujian Institute of Research on the Structure of Matter,Chinese Academy of Sciences,Fuzhou |
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| Abstract: | A penta-coordinated Cu(II) complex with 1,4-diazacycloheptane (DACH), Cu(DACH) 2(H 2O)]Cl 2 (1), has been synthesized and characterized by X-ray diffraction, IR spectra, elemental analyses, thermal analyses, UV-Vis and ESR techniques. Complex 1 crystallizes in orthorhombic crystal system, Pbcn space group with a=1.6075(4), b=1.0539(3), c=0.9195(3) nm, V=1.5578(7) nm 3, M r=352.79, Z=4, D c=1.487 g/cm 3, final R=0.0451 and wR=0.1294. The structure of 1 indicates that the central Cu(II) atom is penta-coordinated by four nitrogen atoms of two DACH moieties at the equatorial positions and a water molecule at the axis position. The coordination geometry of Cu(II) could be considered as an approximately ideal square-pyramidal environment. Both DACH rings arrange in cis-form and are predominantly in the boat-boat conformation (80%) with some disorder to the chair-chair conformation (20%). The Cl - anions are hydrogen bonded with the nitrogen donors of the DACH rings and the oxygen donor of the coordinated H 2O molecule to form a one-dimensional zigzag linear structure. The solution behaviors of 1 are also discussed in detail by Uv-vis and ESR technique. |
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| Keywords: | crystal structure 1 4-diazacyclohepane (DACH) Cu(II) complex electronic spectra ESR |
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