%0 Journal Article
%T Structural Investigation of Methanol {6-[(2-oxidopropyl)iminomethyl] phenolato} dioxidomolybdenum(VI) by X-Ray Crystallography and DFT Calculations
%A Iran SHEIKHSHOAIE
%A Yousef EBRAHIMIPOUR
%A Mahdiyeh SHEIKHSHOAEE
%J Walailak Journal of Science and Technology
%D 2012
%I Walailak University
%R 10.2004/vol10iss1ppaccepted
%X This article presents the computational calculations of a cis-dioxomolybdenum(VI) complex by using density functional theory (DFT) with a DZP basis set (double zeta polarized basis set). The Schiff base 2-((E)-(2-hydroxypropylimino)methyl)-6-methoxyphenol was treated with MoO2(acac)2 in dry methanol to produce the mononuclear complex methanol{2-methoxy-6-[(2-oxidopropyl) iminomethyl]phenolato} dioxidomolybdenum(VI), whose structure has been solved and successfully refined in the monoclinic space group P21/c, with a = 6.755  , b = 15.835  , c = 13.119  , V = 1388.79  3, and Z = 4.
%K DFT calculations
%K X-ray
%K cis-dioxomolybdenum (VI)
%K Schiff base
%K Mo(VI) complexes
%U http://wjst.wu.ac.th/index.php/wjst/article/view/207