THEORETICAL-STUDY OF THE EFFECTS OF THE NUMBER AND LOCATION OF N-ATOMS AND O-ATOMS ON THE RELATIVE THERMODYNAMIC STABILITY OF POLYHETEROCYCLIC COMPOUNDS

Authors
LI YF SHCHAO HM PIVINA TS BATOG LV LEBEDEV OV KHMELNITSKII LI
Citation
Yf. Li et al., THEORETICAL-STUDY OF THE EFFECTS OF THE NUMBER AND LOCATION OF N-ATOMS AND O-ATOMS ON THE RELATIVE THERMODYNAMIC STABILITY OF POLYHETEROCYCLIC COMPOUNDS, Russian chemical bulletin, 42(5), 1993, pp. 950-952
Citations number
2
Categorie Soggetti
Chemistry
Journal title
Russian chemical bulletin → ACNP
ISSN journal
10665285
Volume
42
Issue
5
Year of publication
1993
Pages
950 - 952
Database
ISI
SICI code
1066-5285(1993)42:5<950:TOTEOT>2.0.ZU;2-T
Abstract
The thermodynamic stability of a number of tricyclic conjugate compoun ds has been evaluated on the basis of the composition of the occupied molecular orbitals and Hueckel molecular orbital calculations. The rel ative stability of the compounds under study depends on the number and location of the nitrogen and oxygen atoms in their structures.