Premium
Neutral organic lewis acids of π type
Author(s) -
Cammi Roberto,
Ghio Caterina,
Tomasi Jacopo
Publication year - 1986
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560290325
Subject(s) - counterpoise , chemistry , decomposition , group (periodic table) , lewis acids and bases , similarity (geometry) , stereochemistry , type (biology) , computational chemistry , interaction energy , organic chemistry , basis set , molecule , computer science , image (mathematics) , biology , catalysis , ecology , density functional theory , artificial intelligence
The interaction of some neutral acids of π type, bearing appropriate unsymmetrical substitutions at the CC group with some selected bases (H 2 O, NH 3 , OH − ), is compared with that of the parent compound of a new set of neutral π acids, bearing symmetrical substitutions at the CC group with the same bases. The analyses of the interaction energy, performed according to two decomposition schemes, with and without the counterpoise corrections, make clear the similarity of symmetrically and unsymmetrically substituted neutral organic acids.