Tautomerization and Dissociation of Dimethyl Phosphonate Ions(CH3O)2P(H)=O•+:Theory and Experiment in Concert

Author:

Heydorn L.N.,Ling Y.,Oliveira G. de,Martin J.M.L:,Lifshitz C.,Terlouw J.K.

Abstract

The unimolecular gas phase chemistry of the title ion,(CHThe identity of the ions was probed by tandem mass spectrometry methods. These include MI (metastable ion) or CID (collision induced dissociation) spectra, consecutive MI/CID and CID/CID spectra, NRMS (neutralization-reionization mass spectra), NR/CID and CIDI (collision induced dissociative ionization) spectra, time-resolved CID spectra and deuterium labelling. The energetics of the CHTheory and experiment yield a consistent potential energy profile that describes the isomerization and low energy dissociation chemistry of ions

Publisher

Walter de Gruyter GmbH

Subject

Physical and Theoretical Chemistry

Reference2 articles.

1. Rapid Mass Spectrom;Bertrand;Commun Chem Commun,1998

2. Some observations and case studies on basis set convergence in density functional theory in Density Functional a bridge between Chem istry and Physics eds VUB Press;Martin;Theory,2000

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