title: Laser spectroscopy of a halocarbocation in the gas phase: CH2I+.
abstract: We report the first gas-phase observation of the electronic spectrum of a simple halocarbocation, CH2I+. The ion was generated rotationally cold (Trot approximately 20 K) using pulsed discharge methods and was detected via laser spectroscopy. The identity of the spectral carrier was confirmed by modeling the rotational contour observed in the excitation spectra and by comparison of ground state vibrational frequencies determined by single vibronic level emission spectroscopy with Density Functional Theory (DFT) predictions. The transition was assigned as 3A1 <-- X1A1. This initial detection of the electronic spectrum of a halocarbocation in the gas phase should open new avenues for study of the structure and reactivity of these important ions.
authors.affiliation: Department of Chemistry, Marquette University, Milwaukee, Wisconsin 53201-1881, USA.
authors.forename: Chong
authors.initials: C
authors.lastname: Tao
authors.forename: Calvin
authors.initials: C
authors.lastname: Mukarakate
authors.forename: Scott A
authors.initials: SA
authors.lastname: Reid
mesh_terms: D005740:Gases / Q000737:chemistry*; D006847:Hydrocarbons, Iodinated / Q000737:chemistry*; D007834:Lasers; D013057:Spectrum Analysis / Q000379:methods*
chemical_list: D005740:Gases; D006847:Hydrocarbons, Iodinated