Quantum-chemical study of the composition and structure of Zn(II) cyano hydroxo complexes

Authors
Maslii, AN Shapnik, MS Kuznetsov, AM
Citation
An. Maslii et al., Quantum-chemical study of the composition and structure of Zn(II) cyano hydroxo complexes, RUSS J IN C, 46(2), 2001, pp. 241-246
Citations number
13
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY
ISSN journal
00360236 → ACNP
Volume
46
Issue
2
Year of publication
2001
Pages
241 - 246
Database
ISI
SICI code
0036-0236(200102)46:2<241:QSOTCA>2.0.ZU;2-E
Abstract
The composition and structure of Zn(II) cyano-, hydroxo-, and mixed cyano h ydroxo complexes with water molecules in the first coordination sphere are studied using B3LYP density functional calculations. Optimized structures o f these complexes are determined.