Journal article
The dissociation of low energy 1,2-propanediol ions: an intriguing mechanism revisited
Abstract
The fascinating unimolecular chemistry of ionized 1,2-propanediol, CH3C(H)OHCH2OH·+, 1, has been re-examined using computational chemistry (ab initio MO and density functional theories) in conjunction with modern tandem mass spectrometric and 13C labelling experiments. The calculations allow a considerable simplification of a previously proposed complex mechanism (Org. Mass Spectrom., 23 (1988) 355). Again, the central intermediates are …
Authors
Burgers PC; Fell LM; Milliet A; Rempp M; Ruttink PJA; Terlouw JK
Journal
International Journal of Mass Spectrometry, Vol. 167, , pp. 291–308
Publisher
Elsevier
Publication Date
11 1997
DOI
10.1016/s0168-1176(97)00076-1
ISSN
1387-3806