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Issue 4, 2010
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The structure of adenine monohydrates studied by femtosecond multiphoton ionization detected IR spectroscopy and quantum chemical calculations

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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.

Graphical abstract: The structure of adenine monohydrates studied by femtosecond multiphoton ionization detected IR spectroscopy and quantum chemical calculations

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Publication details

The article was received on 15 Jul 2009, accepted on 12 Nov 2009 and first published on 09 Dec 2009


Article type: Paper
DOI: 10.1039/B914236C
Citation: Phys. Chem. Chem. Phys., 2010,12, 863-870
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    The structure of adenine monohydrates studied by femtosecond multiphoton ionization detected IR spectroscopy and quantum chemical calculations

    Y. Nosenko, M. Kunitski, C. Riehn, P. H. P. Harbach, A. Dreuw and B. Brutschy, Phys. Chem. Chem. Phys., 2010, 12, 863
    DOI: 10.1039/B914236C

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