0194424 - UOCHB-X 20020091 RIV GB eng J - Článek v odborném periodiku
Exner, Otto - Böhm, S. - Decouzon, M. - Gal, J. F. - Maria, P. Ch.
Small steric effects in isolated molecules: alkyl-substituted benzonitriles.
Journal of the Chemical Society-Perkin Transactions 2. č. 2 (2002), s. 168-172. ISSN 1472-779X
Grant CEP: GA ČR GA203/99/1454
Výzkumný záměr: CEZ:AV0Z4055905
Klíčová slova: benzonitriles * steric effects
Kód oboru RIV: CC - Organická chemie
Impakt faktor: 1.911, rok: 2002

A series of seven alkyl-substituted benzonitriles was investigated as a model for small steric effects. The energies were calculated at a B3LYP/6-311+G(d.p) level and the gas-phase basicities measured by ion cyclotron resonance. Substituent effects were evaluated for neutral molecules and protonated forms.
Trvalý link: http://hdl.handle.net/11104/0090099