Angular Group Induced Bond Alternation (AGIBA). Part VIII. Crystal and Molecular Structure of 2,3,6,7-Tetrahydro-1H,5H-pyrido{3,2,1-ij]quinoline-9-carbaldehyde(E,E)-azine. A Competition Between the AGIBA and the Through Resonance Effects

• Autorzy: Krygowski T. , Findebka E. , Anulewicz-Ostrowska R. , Nowacki J.
• Języki publikacji: EN

Abstrakty

EN

Low temperature (100 K) X-ray diffraction study of 2,3,6,7-tetrahydro-1H,5H-pyrido[ 3,2,1-ij]quinoline-9-carbaldehyde(E,E)-azine provided the molecular geometry allowing to study a competition between the AGIBA and through resonance effects. The simplified derivatives, for which geometry was obtained by optimization at B3LYP/6- 311G** level of theory, supported the results for the title compound and the conclusion that the AGIBA effect and the through resonance may exist simultaneously in systems with appropriate substituents.

Słowa kluczowe

EN

ab initio calculations; substituent effect; AGIBA effect

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 2002
• Tom: Vol. 76 / nr 9
• Strony: 1249--1254
• Opis fizyczny: Bibliogr. 18 poz., rys.

Twórcy

autor

Krygowski T.

• Department of Chemistry, University of Warsaw, 02-093 Warsaw, Pasteura 1, Poland

autor

Findebka E.

• Department of Chemistry, University of Warsaw, 02-093 Warsaw, Pasteura 1, Poland

autor

Anulewicz-Ostrowska R.

• Department of Chemistry, University of Warsaw, 02-093 Warsaw, Pasteura 1, Poland

autor

Nowacki J.

• Department of Chemistry, University of Warsaw, 02-093 Warsaw, Pasteura 1, Poland

Bibliografia

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