INTERPRETATION OF PHOTOELECTRON-SPECTRA WITHIN THE FRAMEWORK OF THE AM1 SEMIEMPIRICAL METHOD .2. PYRIDINES

被引：3
|
作者：
TURCHANINOV, VK
DANOVICH, DK
ERMIKOV, AF
ANDRIYANKOV, MA
机构：
来源：
BULLETIN OF THE RUSSIAN ACADEMY OF SCIENCES-DIVISION OF CHEMICAL SCIENCE | 1992年 / 41卷 / 04期
关键词：
PHOTOELECTRON SPECTROSCOPY; SEMIEMPIRICAL QUANTUM CHEMICAL CALCULATIONS; AND PYRIDINE DERIVATIVES;
D O I：
10.1007/BF01150891
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Analysis of the orbital structure of isomeric pyridines carried out using photoelectron spectroscopy and the AM1 (GF) method showed that this structure is independent of the nature of the substituent at C2(6) and C3(5): pi < n < pi. All the possible sequences of the highest occupied MO of different symmetry (pi, sigma) are realized for 4-substituted pyridines.
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页码：678 / 683
页数：6
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