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Lewis Acidity/Basicity of π-Electron Systems: Theoretical Study of a Molecular Interaction between a π System and a Lewis Acid/Base

✍ Scribed by Shun-ichi Kawahara; Seiji Tsuzuki; Tadafumi Uchimaru

Publisher
John Wiley and Sons
Year
2005
Tongue
English
Weight
315 KB
Volume
11
Category
Article
ISSN
0947-6539

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✦ Synopsis

Abstract

Molecular interactions between π systems having different π‐electron character (benzene, hexafluorobenzene, and borazine), and a Lewis acid/base (borane and ammonia) were theoretically studied. An attractive interaction between benzene, the electron‐rich π system, and borane was observed. On the other hand, repulsive interactions between benzene and ammonia was observed when the lone pair of nitrogen points toward the benzene ring. In contrast, an attractive interaction between hexafluorobenzene, an electron‐deficient π system, and ammonia was observed. Unexpectedly, a weak attractive interaction between hexafluorobenzene and borane was also observed. Borazine shows an interaction both to borane and ammonia. The attraction between the nitrogen atom of borazine and borane was larger than that between the boron atom of borazine and ammonia.

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