The alkylidenphthalan-1-alkylisobenzofuran equilibrium: A computational study

被引：7

作者：

Friedrichsen, W ^{[1
]}

机构：

[1] Univ Kiel, Inst Organ Chem, D-24098 Kiel, Germany

来源：

STRUCTURAL CHEMISTRY | 1999年 / 10卷 / 01期

关键词：

alkylidenphthalan; isobenzofuran; semiempirical calculations; density functional theory;

D O I：

10.1023/A:1022070012294

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Semiempirical (AM1, PM3) and density functional theoretical studies (B3LYP/6-31G*) are reported for the tautomerism of 2-methylidene-2,5-dihydrofurans (3a-e) and the corresponding 2-methylfurans (4a-e) and of benzannulated derivatives (5a-e, 6a-e, 7-14).

引用

页码：47 / 52

页数：6

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