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Non-standard base pairing and stacked structures in methyl xanthine clusters

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    0309383 - ÚOCHB 2009 RIV GB eng J - Journal Article
    Callahan, M. P. - Gengeliczki, Z. - Svadlenak, N. - Valdes, Haydee - Hobza, Pavel - de Vries, M. S.
    Non-standard base pairing and stacked structures in methyl xanthine clusters.
    [Nestandardní párování bazí a patrové struktury v klastrech metyl xantinu.]
    Physical Chemistry Chemical Physics. Roč. 10, č. 19 (2008), s. 2819-2826. ISSN 1463-9076. E-ISSN 1463-9084
    R&D Projects: GA MŠMT LC512
    Grant - others:NSF(US) CHE-0615401
    Institutional research plan: CEZ:AV0Z40550506
    Keywords : non-standard base pairing * stacked structures * in methyl xanthine
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 4.064, year: 2008

    We present resonant two-photon ionization and IR–UV double resonance spectra of methylated xanthine derivatives including 7-methylxanthine dimer and theobromine dimer seeded in a supersonic jet by laser desorption. For 7-methylxanthine, theophylline and theobromine monomer we assign the lowest energy tautomer based on comparison with IR–UV double resonance spectra and calculated IR frequencies.

    Jsou ukázány dvoufotonová ionizační a IR-UV dvouresonanční spektra derivátu metylovaného xantinu včetně dimeru 7-metylxantinu a theobrominu. Pro studované monomery jsou nalezeny tautomery s nejnižší energií.
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