A selected ion flow tube study of the reactions of H3O+, NO+ and O2+ with some oxygenated biogenic volatile organic compounds
Abstract
The rate constants and product ion distributions of the reactions of H3O+, NO+ and O2+ with 2-methyl-3-buten-2-ol, cis-3-hexen-1-ol, cis-3-hexenyl acetate, 1,8-cineole, 6-methyl-5-hepten-2-one, camphor and linalool have been determined at 150 Pa and 297 K using a selected ion flow tube (SIFT). All reactions were found to proceed at a rate close to the collision rate, calculated with the Su and Chesnavich model, using the polarizability and electric dipole moment of the compounds derived from B3LYP/aug-cc-pVDZ quantum chemical calculations. Additionally the product ion distributions of the reactions of these three ions with the terpenoid alcohols nerol and geraniol have been obtained.
- Publication:
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International Journal of Mass Spectrometry
- Pub Date:
- December 2005
- DOI:
- Bibcode:
- 2005IJMSp.247....1A
- Keywords:
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- SIFT;
- Oxygenated biogenic volatile organic compounds;
- Ion/molecule reactions;
- Rate constants