title: The structure of adenine monohydrates studied by femtosecond multiphoton ionization detected IR spectroscopy and quantum chemical calculations.
abstract: We present femtosecond multiphoton ionization detected infrared spectra of jet-cooled monohydrates of adenine and 9-methyladenine. By quantum chemical vibrational analysis and comparison with available literature data we identified two isomers of adenine hydrate with one water molecule hydrogen-bonded to either the amino or the N9-H group. These two monohydrates revealed different fragmentation patterns in the ion depletion spectra, indicating isomer specific intermolecular dynamics. This different behaviour is discussed in terms of competing electronically excited state relaxation and dissociation processes.
authors.affiliation: Institut für Physikalische und Theoretische Chemie, Goethe-Universität, Max-von-Laue-str. 7, 60438 Frankfurt/Main, Germany.
authors.forename: Yevgeniy
authors.initials: Y
authors.lastname: Nosenko
authors.forename: Maksim
authors.initials: M
authors.lastname: Kunitski
authors.forename: Christoph
authors.initials: C
authors.lastname: Riehn
authors.forename: Philipp H P
authors.initials: PH
authors.lastname: Harbach
authors.forename: Andreas
authors.initials: A
authors.lastname: Dreuw
authors.forename: Bernhard
authors.initials: B
authors.lastname: Brutschy
mesh_terms: D000225:Adenine / Q000031:analogs & derivatives* / Q000737:chemistry*; D006860:Hydrogen Bonding; D017785:Photons; D011789:Quantum Theory; D013055:Spectrophotometry, Infrared; D013997:Time Factors; D014732:Vibration; D014867:Water / Q000737:chemistry*
chemical_list: D014867:Water; C013115:9-methyladenine; D000225:Adenine