K selection in one-photon mass-analyzed threshold ionization of CH3I and CD3I to the X2E3/2 state cations.
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.
Lee
Mina
M
Department of Chemistry, Seoul National University, Seoul 151-742, Korea.
Bae
Yong Jin
YJ
Kim
Myung Soo
MS
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
D002412:Cations; D006847:Hydrocarbons, Iodinated; D006859:Hydrogen; D003903:Deuterium; C014055:methyl iodide; D008697:Methane