APPLICATION OF THE MNDO METHOD IN PLANNING THE SYNTHESIS OF DELTA[2]1,2,3-TRIAZOLES

被引：5

作者：

JURANIC, I

HUSINEC, S

SAVIC, V

PORTER, AEA

机构：

[1] UNIV BELGRADE, INST CHEM, YU-11001 BELGRADE, YUGOSLAVIA

[2] UNIV STIRLING, DEPT CHEM, STIRLING FK9 4LA, SCOTLAND

来源：

COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS | 1991年 / 56卷 / 02期

关键词：

D O I：

10.1135/cccc19910411

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A study of the reactivity of several azides and dipolarophiles in [3 + 2] cycloaddition reaction has been carried out and the results analyzed by MNDO calculations. In all cases it can be demonstrated that the reactivity is dependent not on the energy difference between the HOMO of one reactant and LUMO of the other but on the energy difference of corresponding chemically significant MOs.

引用

页码：411 / 417

页数：7

共 24 条

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