Theoretical Study of Terminal Vanadium(V) Chalcogenido Complexes Bearing Chlorido and Methoxido Ligands

Table 1

Selected bond lengths (Å) and angles (°) for the respective complexes.

Parameter		Calculated
		V-Ch	1.5778(16)	1.561	2.002	2.147
V-O(6)	1.7446(15)	1.737	1.727	1.724
V-O(2)	2.1132(16)	2.250	2.257	2.250
V-O(7)	2.2268(16)	2.403	2.444	2.426
V-Cl(4)	2.3108(7)	2.314	2.318	2.331
V-Cl(3)	2.3442(8)	2.333	2.328	2.317
Ch-V-O(6)	99.65(8)	100.74	100.74	101.17
Ch-V-O(2)	92.33(8)	94.83	96.11	96.06
Ch-V-O(7)	171.62(8)	173.99	172.61	171.94
O(6)-V-O(2)	167.77(7)	163.93	161.92	162.52
O(6)-V-Cl(4)	96.68(6)	97.65	97.32	96.27
O(2)-V-Cl(4)	84.26(5)	83.64	83.68	83.61
O(6)-V-Cl(3)	94.64(5)	96.10	95.46	96.22
O(2)-V-Cl(3)	81.38(5)	77.27	76.94	77.22

ref: [17], A: VOCl₂(OMe)(HOMe)₂, B: VSCl₂(OMe)(HOMe)₂, and C: VSeCl₂(OMe)(HOMe)₂.