Issue 4, 2010
From the journal:

Physical Chemistry Chemical Physics

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

Yevgeniy Nosenko,a   Maksim Kunitski,a   Christoph Riehn,b   Philipp H. P. Harbach,a   Andreas Dreuw*a  and  Bernhard Brutschy*a  

* Corresponding authors

a Institut für Physikalische und Theoretische Chemie, Goethe-Universität, Max-von-Laue-str. 7, 60438 Frankfurt/Main, Germany
E-mail: andreas.dreuw@theochem.uni-frankfurt.de, brutschy@chemie.uni-frankfurt.de
Fax: +49 69 79829560
Tel: +49 69 79829424

b Fachbereich Chemie, TU Kaiserslautern, Erwin-Schrödinger-Str. 52, 67663 Kaiserslautern, Germany

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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Article information

DOI
https://doi.org/10.1039/B914236C
Article type
Paper
Submitted
15 Jul 2009
Accepted
12 Nov 2009
First published
09 Dec 2009

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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