Small steric effects in isolated molecules: alkyl-substituted benzonitriles
1.
SYSNO ASEP
0194424
Druh ASEP
J - Článek v odborném periodiku
Zařazení RIV
J - Článek v odborném periodiku
Poddruh J
Ostatní články
Název
Small steric effects in isolated molecules: alkyl-substituted benzonitriles
Tvůrce(i)
Exner, Otto (UOCHB-X) Böhm, S. (CZ) Decouzon, M. (FR) Gal, J. F. (FR) Maria, P. Ch. (FR)
Zdroj.dok.
Journal of the Chemical Society-Perkin Transactions 2
- ISSN 1472-779X
č. 2 (2002), s. 168-172
Poč.str.
5 s.
Jazyk dok.
eng - angličtina
Země vyd.
GB - Velká Británie
Klíč. slova
benzonitriles ; steric effects
Vědní obor RIV
CC - Organická chemie
CEP
GA203/99/1454 GA ČR - Grantová agentura ČR
CEZ
AV0Z4055905 - UOCHB-X
Anotace
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.
