THROUGH-BOND INTERACTION IN THE RADICAL-CATION OF N,N-DIMETHYLPIPERAZINE - RESONANCE RAMAN-SPECTROSCOPY AND QUANTUM-CHEMICAL CALCULATIONS

被引：20

作者：

BROUWER, AM

LANGKILDE, FW

BAJDOR, K

WILBRANDT, R

机构：

[1] RISO NATL LAB,DEPT ENVIRONM SCI & TECHNOL,DK-4000 ROSKILDE,DENMARK

[2] IND CHEM RES INST,DEPT ANALYT,PL-01793 WARSAW,POLAND

来源：

CHEMICAL PHYSICS LETTERS | 1994年 / 225卷 / 4-6期

关键词：

D O I：

10.1016/0009-2614(94)87099-3

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 radical cation of N,N-dimethylpiperazine is investigated by resonance Raman spectroscopy and ab initio calculations. The calculations strongly support the assignment of the vibrational spectrum to a chair conformation. It is shown that a dramatic geometry relaxation following ionization allows a much more efficient interaction between the nitrogen 'lone pairs' than in the neutral ground state.

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收藏

页码：386 / 390

页数：5

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