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Three-dimensional infrared spectroscopy of isotope-substituted liquid water reveals heterogeneous dynamics


Garrett-Roe, S; Perakis, F; Rao, F; Hamm, P (2011). Three-dimensional infrared spectroscopy of isotope-substituted liquid water reveals heterogeneous dynamics. Journal of Physical Chemistry. B, 115(21):6976-6984.

Abstract

The dynamics of the hydrogen bond network of
isotopically substituted liquid water are investigated with a new ultrafast nonlinear vibrational spectroscopy, three-dimensional infrared spectroscopy (3D-IR). The 3D-IR spectroscopy is sensitive to three-point frequency fluctuation correlation functions, and the measurements reveal heterogeneous structural relaxation dynamics. We interpret these results as subensembles of water which do not interconvert on a half picosecond time scale. We connect the experimental results to molecular dynamics
(MD) simulations, performing a line shape analysis as well as complex network analysis.

The dynamics of the hydrogen bond network of
isotopically substituted liquid water are investigated with a new ultrafast nonlinear vibrational spectroscopy, three-dimensional infrared spectroscopy (3D-IR). The 3D-IR spectroscopy is sensitive to three-point frequency fluctuation correlation functions, and the measurements reveal heterogeneous structural relaxation dynamics. We interpret these results as subensembles of water which do not interconvert on a half picosecond time scale. We connect the experimental results to molecular dynamics
(MD) simulations, performing a line shape analysis as well as complex network analysis.

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Additional indexing

Item Type:Journal Article, refereed, original work
Communities & Collections:07 Faculty of Science > Department of Chemistry
Dewey Decimal Classification:540 Chemistry
Language:English
Date:2011
Deposited On:09 Sep 2011 12:24
Last Modified:05 Apr 2016 14:56
Publisher:American Chemical Society
ISSN:1520-5207
Funders:Swiss National Science Foundation (SNF) trough NCCR MUST, National Science Foundation (USA)
Additional Information:This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry. B, copyright © American Chemical Society after peer review and technical editing by the publisher.
Publisher DOI:10.1021/jp201989s
PubMed ID:21561076
Permanent URL: http://doi.org/10.5167/uzh-48411

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