UVPES OF SOME ALIPHATIC AZIDES .3.

被引：11

作者：

COSTA, ML

CABRAL, BJC

FERREIRA, MAA

机构：

[1] UNIV LISBON,FAC CIENCIAS,DEPT QUIM,P-1700 LISBON,PORTUGAL

[2] INST NACL INVEST CIENTIF,CTR FIS MAT CONDENSADA,P-1699 LISBON,PORTUGAL

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1991年 / 249卷 / 2-4期

关键词：

D O I：

10.1016/0022-2860(91)85066-C

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：

Ab initio SCF calculations for 2-chloroethyl azide (ClCH2CH2N3), ethyl azidoacetate (N3CH2COOC2H5) and 3-azido-2-butanone (CH3CHN3COCH3) were performed in order that their UV photoelectron spectra could be reliably interpreted. Good agreement was found when comparing the ionisation energies given by the calculations with the bands of the photoelectron spectra of the above mentioned molecules.

引用

页码：181 / 188

页数：8

共 13 条

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[10]

Kimura K., 1981, HDB HE I PHOTOELECTR

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