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

被引：0

作者：

LI, YF ^{[1
]}

SHCHAO, HM ^{[1
]}

PIVINA, TS ^{[1
]}

BATOG, LV ^{[1
]}

LEBEDEV, OV ^{[1
]}

KHMELNITSKII, LI ^{[1
]}

机构：

[1] ND ZELINSKII INST ORGAN CHEM,MOSCOW 117913,RUSSIA

来源：

RUSSIAN CHEMICAL BULLETIN | 1993年 / 42卷 / 05期

关键词：

MO CALCULATIONS; HUECKEL METHOD; THERMODYNAMIC STABILITY; CONDENSED HETEROAROMATIC SYSTEMS;

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The thermodynamic stability of a number of tricyclic conjugate 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.

引用

页码：950 / 952

页数：3