Wyniki wyszukiwania - BazTech

Ograniczanie wyników

1 Polish Journal of Chemistry

1 2008

Znaleziono wyników: 1

Liczba wyników na stronie

Wyniki wyszukiwania

Wyszukiwano:
w słowach kluczowych: AGIBA

Sortuj według:

Ogranicz wyniki do:

Formyl Group as a Source of AGIBA Effect in Mono-, Di- and Tri- Formylo Derivatives of Benzene

Frączak B. T., Krygowski T. M., Cyrański M. K., Korybut-Daszkiewicz B

Polish Journal of Chemistry

2008

Vol. 82, nr 10

1999-2007

Experimental geometry of 1,3,5-triformylobenzene and the optimized geometry of mono, meta- and para- diformylo - and 1,3,5-triformylo- benzene deriva tives were used for analysis of structural and energetic consequences of angular group induced bond alternation (AGIBA) effect of substituent. The effect is mostly observed by a substantial imbalance of the Kekulé structures of the ring in molecules in questions - the cis-type bonds in the ring in respect to CO bond in the formyl groups are al ways longer than the trans ones. Energetic differences between molecules with and with out AGIBA ef fects are rather small. Key words: substituent effect, pi-electron delocalization, canonical structures, AGIBA