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

Table 3

NPA charge distribution of respective atoms in the complexes.

Atom	Charge
	V(1)	0.447	−0.222	−0.331
O(2)	−0.715	−0.707	−0.681
Cl(3)	−0.270	−0.235	−0.212
Cl(4)	−0.251	−0.228	−0.233
O(5)	−0.187	—	—
S(21)	—	0.391	—
Se(21)	—	—	0.445
O(6)	−0.420	−0.394	−0.377
O(7)	−0.749	−0.744	−0.716

A: VOCl₂(OMe)(HOMe)₂, B: VSCl₂(OMe)(HOMe)₂, and C: VSeCl₂(OMe)(HOMe)₂.