MASS-SPECTROMETRIC FRAGMENTATION OF NORMAL-ALKANES

被引:30
作者
LAVANCHY, A
HOURIET, R
GAUMANN, T
机构
[1] Institute of Physical Chemistry, EPFL-Ecublens, Lausanne
来源
ORGANIC MASS SPECTROMETRY | 1979年 / 14卷 / 02期
关键词
D O I
10.1002/oms.1210140205
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
The fragmentation of n‐hexane, n‐nonane and n‐tetradecane under electron impact has been investigated, using 13C labelled compounds. The mechanism of the formation of the alkyl radical ions is quantitatively explained by using a method of calculation developed in an earlier publication for n‐heptane. It is assumed that these ions are formed either by a direct C‐C bond cleaveage or by a secondary olefin loss from an alkyl radical ion. In the latter case the probability for a particular carbon to be lost in the neutral fragment is assumed to be random. The probability for a direct cleavage to an alkyl ion is about 80% for an ion containing at least half of the number of carbon atoms of the molecular ion and 15% for the smaller ions. The [MH]+ ion seems to be a special case not yet clearly understood. Former results about the loss of methyl from the molecular ion are confirmed. Copyright © 1979 John Wiley & Sons, Ltd.
引用
收藏
页码:79 / 85
页数:7
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