title: K selection in one-photon mass-analyzed threshold ionization of CH3I and CD3I to the X2E3/2 state cations.
abstract: One-photon mass-analyzed threshold ionization (MATI) spectra for the X (2)E(3/2) states of CH(3)I(+) and CD(3)I(+) were measured using vacuum ultraviolet radiation generated by four-wave mixing in Kr. Spin-orbit density functional theory calculations at the B3LYP/aug-cc-pVTZ level and spin-orbit/Jahn-Teller calculations were made to aid vibrational assignment. Each vibrational band consisted of several peaks due to different DeltaK transitions, which could be assigned by using molecular parameters determined in the previous high resolution photodissociation spectroscopic study. Possibility of generating mass-selected, vibronically selected and K-selected ion beam with decent intensity by one-photon MATI was demonstrated. The ionization energies to the X (2)E(3/2) states of CH(3)I(+) and CD(3)I(+) corrected for the rotational contribution were 9.5386+/-0.0006 and 9.5415+/-0.0006 eV, respectively.
authors.affiliation: Department of Chemistry, Seoul National University, Seoul 151-742, Korea.
authors.forename: Mina
authors.initials: M
authors.lastname: Lee
authors.forename: Yong Jin
authors.initials: YJ
authors.lastname: Bae
authors.forename: Myung Soo
authors.initials: MS
authors.lastname: Kim
mesh_terms: D000465:Algorithms; D002412:Cations / Q000737:chemistry*; D003903:Deuterium / Q000737:chemistry*; D004583:Electrons; D004735:Energy Transfer; D006847:Hydrocarbons, Iodinated / Q000737:chemistry*; D006859:Hydrogen / Q000737:chemistry*; D013058:Mass Spectrometry; D008697:Methane / Q000737:chemistry*; D017785:Photons; D011789:Quantum Theory; D013055:Spectrophotometry, Infrared; D013816:Thermodynamics; D014466:Ultraviolet Rays
chemical_list: D002412:Cations; D006847:Hydrocarbons, Iodinated; D006859:Hydrogen; D003903:Deuterium; C014055:methyl iodide; D008697:Methane