TY - JOUR
T1 - IR-UV double resonance spectroscopy of xanthine
AU - Callahan, Michael P.
AU - Crews, Bridgit
AU - Abo-Riziq, Ali
AU - Grace, Louis
AU - De Vries, Mattanjah S.
AU - Gengeliczki, Zsolt
AU - Holmes, Tiffani M.
AU - Hill, Glake A.
PY - 2007
Y1 - 2007
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=34547877599&partnerID=8YFLogxK
U2 - 10.1039/b705042a
DO - 10.1039/b705042a
M3 - Article
C2 - 17690784
AN - SCOPUS:34547877599
SN - 1463-9076
VL - 9
SP - 4587
EP - 4591
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
IS - 32
ER -