IR spectra and structure of 1-H-isoindole-1,3(2H)-dione (phthalimide), cis-hexahydro-1-H-isoindole-1,3 (2H)-dione (hexahydrophthalimide) and of their nitranions

被引：22

作者：

Binev, IG ^{[1
]}

Stamboliyska, BA ^{[1
]}

Binev, YI ^{[1
]}

Velcheva, EA ^{[1
]}

Tsenov, JA ^{[1
]}

机构：

[1] Bulgarian Acad Sci, Inst Organ Chem, BU-1113 Sofia, Bulgaria

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1999年 / 513卷 / 1-3期

关键词：

infrared; 1,2-dicarboximides; anions; ab initio force field; N-15; labelling;

D O I：

10.1016/S0022-2860(99)00123-4

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 spectral and structural changes, accompanying the conversions of 1-H-isoindole-1.3(2H)-dione (phthalimide) and its cis-hexahydro derivative into the corresponding nitranions have been observed through IR spectra. These conversions lead to a strong decrease in carbonyl stretching frequencies nu(CO)(s) by 74 cm(-1) and nu(CO)(as) by 134 cm(-1) (mean values), a two-fold increase in the nu(CO) spliting, etc. According to ab initio MO calculations, greater parts of anionic charges are delocalized within carbonyl groups. The alkali-metal derivatives of the imides studied mainly exist in the dimethyl sulphoxide as free solvated ions. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：231 / 243

页数：13

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