HETEROCYCLIC BETAINES .13. SYNTHESIS AND ELECTRONIC AND MOLECULAR-STRUCTURES OF METHYLENEPYRIDINIUM AND METHYLENEIMIDAZOLIUM AZOLATE INNER SALTS

被引：27

作者：

ALCALDE, E

PEREZGARCIA, L

MIRAVITLLES, C

RIUS, J

VALENTI, E

机构：

[1] CSIC,INST CIENCIAS MAT,E-08193 BARCELONA,SPAIN

[2] LABS DR ESTEVE,DEPT QUIM MED,E-08026 BARCELONA,SPAIN

来源：

JOURNAL OF ORGANIC CHEMISTRY | 1992年 / 57卷 / 18期

关键词：

D O I：

10.1021/jo00044a014

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

A convenient synthesis of several examples of betaines 3 and 4 is reported. The electronic and molecular structure of the title betaines 3 and 4 is investigated in terms of a single-crystal diffraction X-ray analysis of compound 7, spectroscopic methods, and experimental dipole moment values (12.34-15.34 D). Semiempirical molecular orbital calculations (MNDO and AM1 methods) provide a useful complementary information to the experimental results.

引用

收藏

页码：4829 / 4834

页数：6

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