Skip navigation
Skip navigation

Rearrangement and fragmentation pathways of [C3H7Z]+ ions (Z = NH and S): are ion-neutral complexes important?

Chalk, Andrew; Mayer, R. John; Radom, Leo


High level ab initio calculations at the G2(ZPE = MP2) level have been used to characterize the potential energy surfaces for rearrangement/fragmentation of various [C3H8N]+ and [C3H7S]+ isomers. In contrast to the behavior in the corresponding [C3H7O]+ system, it is found that ion-neutral complexes are only of minor importance in determining the fragmentation characteristics. Either dissociation of such complexes occurs too fast due to a large barrier to their formation ([C3H8N]+ system), or...[Show more]

CollectionsANU Research Publications
Date published: 2000
Type: Journal article
Source: International Journal of Mass Spectrometry
DOI: 10.1016/S1387-3806(99)00127-X


File Description SizeFormat Image
01_Chalk_Rearrangement_and_2000.pdf675.19 kBAdobe PDF    Request a copy

Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.

Updated:  20 July 2017/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator