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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
Author(s) -
Kawahara Shunichi,
Tsuzuki Seiji,
Uchimaru Tadafumi
Publication year - 2005
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.200400912
Subject(s) - hexafluorobenzene , borazine , chemistry , lewis acids and bases , ammonia borane , benzene , lone pair , borane , boranes , inorganic chemistry , photochemistry , base (topology) , ammonia , electron pair , boron , organic chemistry , molecule , electron , catalysis , mathematical analysis , hydrogen production , mathematics , boron nitride , physics , quantum mechanics
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.