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Rotational barrier and structure of aminoborane determined by AB initio calculations

✍ Scribed by Odd Gropen; Hans M. Seip

Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
233 KB
Volume
25
Category
Article
ISSN
0009-2614

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✦ Synopsis

Ab initio calculations have been used to determine the structural parameters of both the planar and the orthogorial form of H~BNHz. The BN bond hngths were found to be 1.378 A and 1.469 A, respectively. The arrangement about nitrogen is pyramidal in the orthogonal form, The best estimate of the barrier to internal rotation is 33.3 kc&mole.

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