摘要
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 inorthorhombic 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. Thestructure of 1 indicates that the central Cu(II) atom is penta-coordinated by four nitrogen atoms oftwo DACH moieties at the equatorial positions and a water molecule at the axis position. Thecoordination geometry of Cu(II) could be considered as an approximately ideal square-pyramidalenvironment. 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 bondedwith the nitrogen donors of the DACH rings and the oxygen donor of the coordinated H_2O molecule toform a one-dimensional zigzag linear structure. The solution behaviors of 1 are also discussed indetail by Uv-vis and ESR technique.
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 inorthorhombic 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. Thestructure of 1 indicates that the central Cu(II) atom is penta-coordinated by four nitrogen atoms oftwo DACH moieties at the equatorial positions and a water molecule at the axis position. Thecoordination geometry of Cu(II) could be considered as an approximately ideal square-pyramidalenvironment. 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 bondedwith the nitrogen donors of the DACH rings and the oxygen donor of the coordinated H_2O molecule toform a one-dimensional zigzag linear structure. The solution behaviors of 1 are also discussed indetail by Uv-vis and ESR technique.
基金
theNationalNaturalScienceFoundationofChina (No .2 99710 19)andtheTrans CenturyTalentsTrainingProgramFoundationfromtheStateEducationMinistryofChina
