A CRYSTALLOGRAPHIC STUDY OF AMINOBORANE DERIVATIVES AND RELATED COMPOUNDS.
Abstract
In order to determine the degree of double-bond character of the B-N bonds in (dimethylamino)dimethylborane and 1,8,10,9-triazaboradecalin, the bond lengths in these compounds were measured by means of crystal structure analysis. The crystal structure of (dimethylamino)dimethylborane contains two symmetry-independent planar molecules in which the average B-N bond length is 1.42A. Molecular orbital calculations based on this bond length indicate a B-N bond order of 1.39. Previous estimates of the bond order made from the B-N stretching frequency by using Gordy's rule were considerably higher. It is therefore suggested that Gordy's rule cannot be applied to this system. In 1,8,10,9-triazaboradecalin the lengths of the three B-N bonds are equal within experimental error to the same average of 1.42A. Molecular orbital calculations give a bond order of 1.31. The central part of the molecule, comprising the boron, three nitrogen, and two carbon atoms (in positions 4 and 5), is planar. The carbon atoms in positions 2 and 7 lie 0.2A away from the plane on one side while those in positions 3 and 6 are 0.5A away from the plane on the opposite side. The molecular symmetry is very nearly Cs(m). (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Nov 01, 1967
- Accession Number
- AD0826557
Entities
People
- G. J. Bullen
- N. H. Clark
Organizations
- University of Essex