Geometry, vibrational and NMR spectra of icosahedral 1-methylaza-closo-dodecaborane

Authors
Muller, J Paetzold, P Steuer, B Preetz, W Wrackmeyer, B
Citation
J. Muller et al., Geometry, vibrational and NMR spectra of icosahedral 1-methylaza-closo-dodecaborane, Z ANORG A C, 625(12), 1999, pp. 2003-2007
Citations number
21
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
ISSN journal
00442313 → ACNP
Volume
625
Issue
12
Year of publication
1999
Pages
2003 - 2007
Database
ISI
SICI code
0044-2313(199912)625:12<2003:GVANSO>2.0.ZU;2-O
Abstract
Geometry, vibrational and NMR spectra of the icosahedral aza-closo-dodecabo rane MeNB11H11 are calculated by ab initio methods. The results are compare d with experimental data. They are in accord with local C-5v symmetry of th e cluster unit and local C-3v symmetry of the methyl group. The boron atoms B7-B11 are coupled to B12 by the small constant (1)J (B-11, B-11) = 12 Hz.