STRUCTURE AND FORCE-FIELD OF THE NBOCL3 MOLECULE

Authors
BELOVA IN GIRICHEVA NI GIRICHEV GV PETROVA VN SHLYKOV SA
Citation
In. Belova et al., STRUCTURE AND FORCE-FIELD OF THE NBOCL3 MOLECULE, Journal of structural chemistry, 37(2), 1996, pp. 224-231
Citations number
14
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Physical
Journal title
Journal of structural chemistry → ACNP
ISSN journal
00224766
Volume
37
Issue
2
Year of publication
1996
Pages
224 - 231
Database
ISI
SICI code
0022-4766(1996)37:2<224:SAFOTN>2.0.ZU;2-J
Abstract
The structure of the NbOCl3 molecule is studied by electron diffractio n at 743(6) K. It is established that the molecule is characterized by C-3v symmetry and the following structural parameters: r(alpha)(Nb=O) 1.682(6)Angstrom, r(alpha)(Nb-CI) 2.276(5) Angstrom, angle(ONbCl) 107 .5(5)degrees and angle(ClNbCl) 111.3(4)degrees. Comparison with the ot her niobium oxytrihalide molecules shows that these values of the Nb = O bond and the bond angles are characteristic. The assignment of the v(3) frequency of the NbOCl3 molecule is refined, and the vibration fr equencies of the NbOF3 molecule are estimated.