Theoretical study of the effects of the number and location of N and O atoms on the relative thermodynamic stability of polyheterocyclic compounds

Theoretical study of the effects of the number and location of N and O atoms on the relative thermodynamic stability of polyheterocyclic compounds Full article

Journal

Russian Chemical Bulletin
ISSN: 1573-9171 , E-ISSN: 1066-5285

Output data

Year: 1993, Volume: 42, Number: 5, Pages: 950-952 Pages count : 3 DOI: 10.1007/bf00698969

Authors

Yangfu Li ¹ , Heming Shchao ¹ , Pivina T.S. ² , Batog L.V. ² , Lebedev O.V. ² , Khmel'nitskii L.I. ²

Affiliations

1	East Chinese Polytechnical Institute, Nankin, China
2	N. D. Zelinsky Institute of Organic Chemistry Russian Academy of Sciences, Moscow, Russian Federation

The thermodynamic stability of a number of tricyclic conjugated compounds has been evaluated on the basis of the composition of the occupied molecular orbitals and Hueckel molecular orbital calculations. The relative stability of the compounds under study depends on the number and location of the nitrogen and oxygen atoms in their structures.

Yangfu L. , Heming S. , Pivina T.S. , Batog L.V. , Lebedev O.V. , Khmel'nitskii L.I.
Theoretical study of the effects of the number and location of N and O atoms on the relative thermodynamic stability of polyheterocyclic compounds
Russian Chemical Bulletin. 1993. V.42. N5. P.950-952. DOI: 10.1007/bf00698969 Scopus OpenAlex

Scopus:	2-s2.0-27844587357
OpenAlex:	W2057485770

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