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Issue 32, 2007
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IR-UV double resonance spectroscopy of xanthine

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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.

Graphical abstract: IR-UV double resonance spectroscopy of xanthine

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Publication details

The article was received on 03 Apr 2007, accepted on 15 Jun 2007 and first published on 17 Jul 2007

Article type: Paper
DOI: 10.1039/B705042A
Phys. Chem. Chem. Phys., 2007,9, 4587-4591

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    IR-UV double resonance spectroscopy of xanthine

    M. P. Callahan, B. Crews, A. Abo-Riziq, L. Grace, M. S. de Vries, Z. Gengeliczki, T. M. Holmes and G. A. Hill, Phys. Chem. Chem. Phys., 2007, 9, 4587
    DOI: 10.1039/B705042A

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