What is the coordination number of vanadium in vanadyl nitrate, VO(NO3)3? A study of its molecular structure in the gas phase by electron diffraction and ab initio calculations

Autor: A. Smart, Bruce, E. Robertson, Heather, W. H. Rankin, David, G. Hope, Eric, J. Marsden, Colin
Zdroj: Journal of the Chemical Society, Dalton Transactions; February 7, 1999, Vol. 1999 Issue: 3 p473-478, 6p
Abstrakt: The structure of isolated vanadyl nitrate, VO(NO3)3, has been determined in the gas phase by electron diffraction (GED) and molecular orbital calculations. VO(NO3)3 adopts a structure which is best described as being based on a distorted pentagonal bipyramid with overall Cs symmetry. The structure contains three bidentate planar nitrate groups bound asymmetrically to the vanadium atom. A single nitrate group lies in the mirror plane, while the two others are on either side of that plane and almost perpendicular to it. Important structural parameters are: V(1)&z.dbd6;O(2) 160.7(7), V(1)–O(3) 191.5(7), V(1)  · 4;· 4;·  O(6) 225.8(20), V(1)–O(7) 197.1(5), V(1)  · 4;· 4;·  O(9) 215.4(9) pm, O(2)–V(1)–O(3) 94.5(13), O(2)–V(1)–O(7) 96.3(9), O(2)–V(1)–O(6) 155.8(13), V(1)–O(3)–N(4) 99.5(8), V(1)–O(7)–N(8) 96.9(4) and N(8)–V(1)–O(2)–N(4) 113.2(3)°.
Databáze: Supplemental Index