Inductive effect of uncharged groups: dependence on electronegativity
1.
SYSNO ASEP
0047868
Druh ASEP
J - Článek v odborném periodiku
Zařazení RIV
J - Článek v odborném periodiku
Poddruh J
Ostatní články
Název
Inductive effect of uncharged groups: dependence on electronegativity
Překlad názvu
Induktivní efekt nenabitých skupin: závislost na elektronegativitě
Tvůrce(i)
Exner, Otto (UOCHB-X) Böhm, S. (CZ)
Zdroj.dok.
Journal of Physical Organic Chemistry. - : Wiley
- ISSN 0894-3230
Roč. 19, č. 7 (2006), s. 393-401
Poč.str.
9 s.
Jazyk dok.
eng - angličtina
Země vyd.
GB - Velká Británie
Klíč. slova
inductive effect ; electronegativity ; substituent effect ; density functional
Vědní obor RIV
CC - Organická chemie
CEZ
AV0Z40550506 - UOCHB-X (2005-2011)
Anotace
Substituent effects in rigid systems were followed on the series of 3-substituted 1-fluoro-bicyclo[1.1.1]pentanes and 2-substituted 1-fluoroethanes. Their energies were calculated at the B3LYP/6-311++G(3df,3pd) level. Interaction of two substituents of low polarity cannot be described as the classical inductive effect, but an additional term is necessary, including electronegativity of the first atom of the substituent. When one substituent is strongly polar, the first term increases and the second becomes insignificant.
