Synthesis, Structure Characterization, and Quantum Chemistry of a Discrete Cluster [{Zn(2,2′-bipy)3}2V4O12]·11H2O (2,2′-bipy=2,2′-bipyridine)

A bimetallic cluster complex, [{Zn(2,2′-bipy)3}2V4O12] · 11H2O(2,2′-bipy=2,2′-bipyridine), has been synthesized hydrothermally by a new and more efficient modified way. This complex crystallizes in the monoclinic system with space group C2/c and cell parameters a=21.9417(5) A, b=14.0337(3) A, c=23.8513(7) A. β=106.2(8)° and Z=4 with R1=0.0342. The structure of the complex consists of a discrete anion cluster [V4O12]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.