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

doi:10.1021/jp8047086

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

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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 language	English (US)
Pages (from-to)	11061-11066
Number of pages	6
Journal	Journal of Physical Chemistry A
Volume	112
Issue number	44
DOIs	https://doi.org/10.1021/jp8047086
State	Published - Nov 6 2008
Externally published	Yes

ASJC Scopus subject areas

Physical and Theoretical Chemistry

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

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.",

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T1 - Experimental and theoretical studies of (CsI)nCs+ cluster ions produced by 355 nm laser desorption ionization

AU - Fernandez-Lima, F. A.

AU - Becker, C.

AU - Gillig, K.

AU - Russell, W. K.

AU - Nascimento, Marco Antonio Chaer

AU - Russell, D. H.

PY - 2008/11/6

Y1 - 2008/11/6

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AB - 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.

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

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