Publication
Title
Molecular structures of free quinuclidine and its adducts with metal trihydrides, $MH_{3}$ (M = B, Al or Ga), studied by gas-phase electron diffraction, X-ray diffraction and quantum chemical calculations
Author
Abstract
 The structure of quinuclidine, HC(CH2CH2)(3)N, has been re-investigated by quantum chemical calculations and by gas-phase electron diffraction (GED). The GED data, together with published rotational constants, have been analysed using the SARACEN method to determine the most reliable structure (r(h1)) for the gaseous molecule. The structures of two adducts of quinuclidine with group 13 trihydride molecules, MH3 (M = B, Al), have also been determined by GED and quantum chemical calculations. The effect of the coordination of these hydrides to the quinuclidine nitrogen atom has been investigated, and the structural changes and energetics of adduct formation are discussed. We also present the crystal structure of quinuclidine borane.
Language
English
Source (journal)
Journal of the Chemical Society: Dalton transactions. - London
Publication
London : 2007
ISSN
0300-9246
1477-9226
1472-7773
Volume/pages
17(2007), p. 1687-1696
ISI
000245815000007
Full text (Publisher's DOI)
UAntwerpen
 Faculty/Department Research group Publication type Subject Affiliation Publications with a UAntwerp address