Synthesis, Structure Characterization, and Quantum Chemistry of a Discrete Cluster [{Zn(2,2'-bipy)_3}_2V_4O_12] centre dot llH_2O (2,2'-bipy = 2,2'-bipyridine)

摘要

A bimetallic cluster complex, [{Zn(2,2'-bipy)_3}_2V_4O_12] centre dot 11H_2O (2,2'-bipy velence 2,2'-bipyridine), has been synthesized hydro-thermally by a new and more efficient modified way. This complex crystallizes in the monoclinic system with space group C_2/c and cell parameters a velence 21.9417(5) A, b velence 14.0337(3) A, c velence 23.8513(7) A. beta velence 106.2(8) deg and Z velence 4 with R_1 velence 0.0342. The structure of the complex consists of a discrete anion cluster [V_4O_2]~（4-） and the cation {Zn(2,2'-bipy)_3}~（2+）, which is connected by electrostatic force. IR spectra and quantum chemistry data for this complex are given and discussed.