Two-dimensional infrared spectroscopy of neat ice Ih

Physical Chemistry Chemical Physics : PCCP
Liang ShiThomas L C Jansen

Abstract

The assignment of the distinct peaks observed in the OH stretch lineshape of ice Ih is controversial. Recent two-dimensional infrared spectroscopic measurements provided new data. The spectra are, however, challenging to interpret and here we provide simulations that help overcome experimental issues as thermal signals and finite pulse duration. We find good agreement with experiment and the difference between H2O and D2O ices is well accounted for. The overall dynamics is demonstrated to be faster than observed for the corresponding liquid water. We find that excitonic cross peaks exist between the dominant exciton peaks. This leads us to conclude that the cross peaks arise due to the formation of delocalized exciton states, which have essentially no directional correlation between their transition dipoles as opposed to what is commonly seen, for example, in isolated water, where the transition dipoles of the eigenstates are perpendicular to each other.

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Citations

Apr 21, 2016·Chemical Reviews·Fivos PerakisYuki Nagata
Sep 10, 2016·The Journal of Chemical Physics·Luigi De MarcoAndrei Tokmakoff
Aug 3, 2017·Physical Chemistry Chemical Physics : PCCP·Qingcheng HuShunli Ouyang
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Oct 17, 2017·The Journal of Chemical Physics·Halina TranChristoph G Salzmann
Aug 24, 2017·Chemical Reviews·Jan Philip Kraack, Peter Hamm
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Jun 24, 2020·The Journal of Physical Chemistry. a·Daniel HutzlerHristo Iglev
May 24, 2019·The Journal of Physical Chemistry. B·Alexei A KananenkaJ L Skinner
Oct 26, 2018·The Journal of Physical Chemistry. B·Daniel R MobergFrancesco Paesani

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