Theoretical study of the thermal degradation pathways of abietane skeleton diterpenoids: aromatization to retene

被引：28

作者：

Marchand-Geneste, N ^{[1
]}

Carpy, A ^{[1
]}

机构：

[1] Univ Bordeaux 1, CNRS, UMR 5472, Lab Phys & Toxico Chim Syst Nat LPTC, F-33405 Talence, France

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2003年 / 635卷

关键词：

retene; resin acids; thermal degradation; AM1; reaction pathways;

D O I：

10.1016/S0166-1280(03)00401-9

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The results of a theoretical study concerning the thermal degradation of abietane skeleton diterpenoids which results in the fully aromatized retene product are presented. The semi-empirical AM1/UHF method has been used to elaborate all reaction pathways that could be encountered during dehydrogenation, demethylation and decarboxylation processes. The topological study of these reaction pathways allows to propose the most probable reaction mechanisms involved in the aromatization of abietic acid to retene. (C) 2003 Elsevier B.V. All rights reserved.

引用

页码：55 / 82

页数：28

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