Open AccessIR-UV double resonance spectroscopy of xanthine
Author(s) -
Michael P. Callahan,
Bridgit Crews,
Ali AboRiziq,
Louis Grace,
Mattanjah S. de Vries,
Zsolt Gengeliczki,
Tiffani M. Holmes,
Glake Hill
Publication year - 2007
Publication title -
physical chemistry chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.053
H-Index - 239
eISSN - 1463-9084
pISSN - 1463-9076
DOI - 10.1039/b705042a
Subject(s) - resonance (particle physics) , spectroscopy , resonance enhanced multiphoton ionization , xanthine , tautomer , chemistry , ionization , spectral line , density functional theory , atomic physics , infrared , infrared spectroscopy , desorption , photoionization , computational chemistry , physics , ion , optics , stereochemistry , biochemistry , enzyme , organic chemistry , quantum mechanics , astronomy , adsorption
We present resonant two-photon ionization (R2PI), UV-UV, and IR-UV double resonance spectra of xanthine seeded in a supersonic jet by laser desorption. We show that there is only one tautomer of xanthine which absorbs in the wavelength range of 36 700 to 37 700 cm(-1). The IR-UV double resonance spectrum shows three strong bands at 3444, 3485, and 3501 cm(-1), all of which we assign as N-H stretching vibrations. Comparison of the IR-UV double resonance spectrum with frequencies and intensities obtained from density functional theory (DFT) and second order Møller Plesset (MP2) calculations suggests that the observed xanthine is the diketo N(7)H tautomer.
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