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Ion‐neutral complexes and the proton‐bound dimer of acetone
Author(s) -
Hunter John A.,
Johnson Chris. A. F.,
Parker John E.,
Smith Gerry P.
Publication year - 1991
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.1210261002
Subject(s) - dimer , dissociation (chemistry) , chemistry , protonation , acetone , ion , infrared multiphoton dissociation , proton , molecule , photochemistry , collision induced dissociation , mass spectrometry , computational chemistry , tandem mass spectrometry , organic chemistry , physics , chromatography , quantum mechanics
High‐ and low‐energy collision‐induced dissociation, and multi‐photon infrared dissociation spectra of the proton‐bound dimer of acetone all show the formation of protonated‐acetone and an acetone molecule as the only dissociation products. In the present paper evidence is presented that the proton‐bound dimer of acetone can exist as three isomeric ion‐neutral complexes, two of which may interconvert. The dissociation channels and energetics of these three complexes are modelled using the MINDO/3 quantum chemical method.