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N-H stretching modes of adenosine monomer in solution studied by ultrafast nonlinear infrared spectroscopy and ab initio calculations.

Authors
  • Greve, Christian
  • Preketes, Nicholas K
  • Costard, Rene
  • Koeppe, Benjamin
  • Fidder, Henk
  • Nibbering, Erik T J
  • Temps, Friedrich
  • Mukamel, Shaul
  • Elsaesser, Thomas
Type
Published Article
Journal
The Journal of Physical Chemistry A
Publisher
American Chemical Society
Publication Date
Jul 26, 2012
Volume
116
Issue
29
Pages
7636–7644
Identifiers
DOI: 10.1021/jp303864m
PMID: 22724894
Source
Medline
License
Unknown

Abstract

The N-H stretching vibrations of adenine, one of the building blocks of DNA, are studied by combining infrared absorption and nonlinear two-dimensional infrared spectroscopy with ab initio calculations. We determine diagonal and off-diagonal anharmonicities of N-H stretching vibrations in chemically modified adenosine monomer dissolved in chloroform. For the single-quantum excitation manifold, the normal mode picture with symmetric and asymmetric NH(2) stretching vibrations is fully appropriate. For the two-quantum excitation manifold, however, the interplay between intermode coupling and frequency shifts due to a large diagonal anharmonicity leads to a situation where strong mixing does not occur. We compare our findings with previously reported values obtained on overtone spectroscopy of coupled hydrogen stretching oscillators.

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