Experimental and theoretical studies of (CsI)nCs+ cluster ions produced by 355 nm laser desorption ionization

F. A. Fernandez-Lima, C. Becker, K. Gillig, W. K. Russell, Marco Antonio Chaer Nascimento, D. H. Russell

Research output: Contribution to journalArticle

26 Scopus citations

Abstract

Collision cross-sections of gas-phase (CsI)n = 1-7Cs+ cluster ions formed by pulsed-UV laser (355 nm) desorption ionization are measured by ion mobility-mass spectrometry. Experimental collision cross-sections are compared with calculated cross sections of candidate structures generated from a search for the lowest energy structures at the DFT/B3LYP/LACV3P** and MP2/LACVP3P** levels. The relative stabilities of these candidate structures are examined by IM-CID-MS, and the experimental results are compared to theoretical predictions. Analysis of (CsI)n = 1-7Cs+ cluster ion dissociation energies shows that the lower fragmentation thresholds are observed for cluster ions with the lower predicted stability.

Original languageEnglish (US)
Pages (from-to)11061-11066
Number of pages6
JournalJournal of Physical Chemistry A
Volume112
Issue number44
DOIs
StatePublished - Nov 6 2008

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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