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Theoretical Study of the Reaction of Acetylene with B 4 H 8 . A Proposed Mechanism of Carborane Formation. 2

✍ Scribed by McKee, Michael L.

Book ID
127230588
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
306 KB
Volume
118
Category
Article
ISSN
0002-7863

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The mechanisms of the reactions of diborane with ammonia have been investigated by ab initio molecular orbital methods. The activation barrier of the formation of aminoborane, H,&NHr, from the adduct, H,B : NHs, of borane and ammonia is high (over 40 kcal/mol), because it is a reaction essentially