On the existence of VXn+ (X = O,S,Se; n = 0,1,2) Ions and their tetrachloro complexes: Semi-empirical molecular orbital calculations期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

On the existence of VXn+ (X = O,S,Se; n = 0,1,2) Ions and their tetrachloro complexes: Semi-empirical molecular orbital calculations

Authors:	John R. Wasson James W. Hall William E. Hatfield

Affiliation:	(1) Department of Chemistry, University of North Carolina, 27514 Chapel Hill, North Carolina, USA;(2) Present address: Research Laboratories, Lithium Corporation of America, P. O. Box 795, 28016 Bessemer City, North Carolina, USA

Abstract:	Summary The existence of VXⁿ⁺ (X = O, S, Se; n = 0, 1, 2) ions and their tetrachloro complexes, [VXCl₄]^m– (m = 4, 3, 2), has been probed using iterative extended-Hückel molecular orbital (EHMO) calculations. The EHMO results indicate that all of the species are expected to exist (a few species are already known). Calculated stability decreases in the sequence O > S > Se and with increasing charge on the [VXCl₄]^m– complex ion. Calculated properties and energy level sequences have been compared with those of the known [VOCl₄(H₂O)]^2– ion and related species.

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