IR-UV double resonance spectroscopy of xanthine

被引：38

作者：

Callahan, Michael P.

Crews, Bridgit

Abo-Riziq, Ali

Grace, Louis

de Vries, Mattanjah S. ^{[1
]}

Gengeliczki, Zsolt

Holmes, Tiffani M.

Hill, Glake A.

机构：

[1] Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA

[2] Eotvos Lorand Univ, Inst Chem, H-1117 Budapest, Hungary

[3] Jackson State Univ, Computat Ctr Mol Struct & Interact, Jackson, MS 39217 USA

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2007年 / 9卷 / 32期

关键词：

D O I：

10.1039/b705042a

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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 Moller Plesset (MP2) calculations suggests that the observed xanthine is the diketo N(7)H tautomer.

引用

收藏

页码：4587 / 4591

页数：5

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