UNIMOLECULAR CHEMISTRY OF OXAZOLE AND ISOXAZOLE RADICAL CATIONS IN THE GAS-PHASE - COMBINED EXPERIMENTAL AND MOLECULAR-ORBITAL STUDY

被引：11

作者：

FLAMMANG, R

PLISNIER, M

BOUCHOUX, G

HOPPILLIARD, Y

HUMBERT, S

WENTRUP, C

机构：

[1] ECOLE POLYTECH,DCMR,F-91128 PALAISEAU,FRANCE

[2] UNIV QUEENSLAND,DEPT CHEM,ST LUCIA,QLD 4067,AUSTRALIA

来源：

ORGANIC MASS SPECTROMETRY | 1992年 / 27卷 / 03期

关键词：

D O I：

10.1002/oms.1210270326

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

Molecular radical cations of oxazole (1) and isoxazole (2) dissociate by losing carbon monoxide or a hydrogen atom, respectively. These fragmentations were examined by use of tandem mass spectrometry, flash vacuum pyrolysis and ab initio molecular orbital calculations. A multi-step mechanism is proposed which incorporates these new experimental and theoretical data. The case of methylated homologues of 1 and 2 is also considered.

引用

页码：317 / 325

页数：9

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