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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