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          Institute: Fritz-Haber-Institut     Collection: Molecular Physics     Display Documents



  history
ID: 319186.1, Fritz-Haber-Institut / Molecular Physics
The Mid-IR Spectra of 9-Ethyl Guanine, Guanosine, and 2-Deoxyguanosine
Authors:Abo-Riziq, Ali; Crews, Bridgit O.; Compagnon, Isabelle; Oomens, Jos; Meijer, Gerard; Helden, Gert von; Kabelác, Martin; Hobza, Pavel; de Vries, Mattanjah S.
Language:English
Date of Publication (YYYY-MM-DD):2007-07-12
Title of Journal:Journal of Physical Chemistry A
Journal Abbrev.:J. Phys. Chem. A
Volume:111
Issue / Number:31
Start Page:7529
End Page:7536
Copyright:2007 American Chemical Society
Review Status:Peer-review
Audience:Experts Only
Abstract / Description:We present the mid-IR (400-1800 cm-1) spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine measured by IR-UV double-resonance spectroscopy. We compare the recorded mid-IR spectra with the spectra of the most stable structures obtained from RI-MP2 and RI-DFT-D calculations. The results confirm the enol form for all structures and demonstrate the efficacy of a new approach to DFT calculations that includes dispersion interactions.
External Publication Status:published
Document Type:Article
Communicated by:Gerard Meijer
Affiliations:Fritz-Haber-Institut/Molecular Physics
External Affiliations:Department of Chemistry and Biochemistry, University of California Santa Barbara, California 93106-9510;
FOM-Institute for Plasmaphysics Rijnhuizen, Edisonbaan 14, NL-3439 MN Nieuwegein, The Netherlands;
Institute of Organic Chemistry and Biochemistry and Center for Complex Molecular Systems and Biomolecules, Academy of Sciences of the Czech Republic, 166 10 Prague 6, Czech Republic
Identifiers:URL:http://pubs.acs.org/cgi-bin/abstract.cgi/jpcafh/20... [only for subscriber]
DOI:10.1021/jp072183i
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