The proton-bound dimer of acetone Kinetic isotope effects (KIE) affect rates of ion-molecule reactions and provide access to important information on binding patterns of gaseous ions and neutral molecules and their reaction mechanisms. 1 Mass spectrometric techniques have been widely used to measure
Ion-neutral complexes and the proton-bound dimer of acetone
✍ Scribed by John A. Hunter; Chris. A. F. Johnson; John E. Parker; Gerry P. Smith
- Publisher
- John Wiley and Sons
- Year
- 1991
- Tongue
- English
- Weight
- 558 KB
- Volume
- 26
- Category
- Article
- ISSN
- 1076-5174
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✦ Synopsis
Abstract
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.
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