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Kinetic energy release in unimolecular decompositions of ions. hydrogen rearrangements
Author(s) -
Cole Neil W.,
Rickard Gregory J.,
Christie John R.,
Derrick Peter J.
Publication year - 1979
Publication title -
organic mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 0030-493X
DOI - 10.1002/oms.1210140610
Subject(s) - ion , kinetic energy , translational energy , hydrogen , partition (number theory) , chemistry , activation energy , computational chemistry , physics , organic chemistry , mathematics , combinatorics , quantum mechanics
The partition of reverse activation energy in hydrogen rearrangements is considered in terms of atomic motions composing the transition state reaction coordinate. It is shown how this approach predicts that, in general, elimination of H 2 from any small ion (as defined in the paper) is likely to be characterized by partition of significant proportions of any reverse activation energy as translational energy of the products. Hydrogen rearrangements in large ions leading to fragments of comparable mass are much less likely to partition reverse activation energy into product translation.