Selected bond lengths in angstroms of UB3LYP-optimized structures of [1 – NO₃⁻]⁺ and 2.

Bond lengths (Å)	[1 – NO3−]+	2
V O	1.582	1.601
V–O (H2O)	2.134	—
V–O (OCH3)	—	1.854
V–O (phenolate)	1.879	1.946
V–N (Py)	2.103	2.168
V–N (imine)	2.026	2.093
C N	1.302	1.308
C–Br	1.953	—