Variable-temperature ion mobility time-of-flight mass spectrometry studies of electronic isomers of Kr2+ and CH3OH+· radical cations

Eur. J. Mass Spectrom. 9, 579–587 (2003)
DOI: 10.1255/ejms.591

Variable-temperature ion mobility time-of-flight mass spectrometry studies of electronic isomers of Kr²⁺ and CH₃OH^+· radical cations

G.F. Verbeck, K.J. Gillig and D.H. Russell^*
Laboratory for Biological Mass Spectrometry, Texas A & M University, College Station, TX 77843-3255, USA. E-mail: Russell@mail.chem.tamu.edu

ABSTRACT:

Preliminary results from a liquid nitrogen-cooled ion mobility (IM) orthogonal-time-of-flight (o-ToF) mass spectrometer applied to the separation of electronic isomers of Kr²⁺ and methanol radical cations (conventional and distonic) are presented. Ab initio calculations were used to estimate the energies and energy barriers to interconversion between conventional (CH₃OH^·+) and distonic (CH₂^·OH₂⁺) radical cations. In addition, computations and experiments are used to compare ion–neutral collision cross-sections for CH₃OH^·+ and CH₂^·OH₂⁺ radical cations and suggest that the mobility separation is achieved by ion–neutral interactions between ions and neutral buffer gas.

Keywords: ion mobility, variable temperature, distonic, liquid nitrogen-cooled, charge exchange

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