Near-infrared radiation induced conformational change and hydrogen atom tunneling of 2-chloropropionic acid in low-temperature Ar matrix

The Journal of Physical Chemistry. a
Gábor BazsóGyörgy Tarczay

Abstract

Former assignments of the matrix-isolation infrared (MI-IR) spectrum of 2-chloropropionic acid are revised with the help of near-infrared (NIR) laser irradiation induced change in conformer ratios. This method allows not only the unambiguous assignment of each band in the MI-IR spectrum to the two trans (Z) and the cis (E) conformers but also the assignment of the spectral bands to different matrix sites. The tunneling decay of the higher-energy cis conformer prepared from both trans conformers in different sites is also investigated. It is shown that the tunneling decay time is very sensitive to the matrix site, especially if the in situ prepared high-energy conformer has a strained geometry in the matrix cage. The analysis shows that the kinetics of some cis → trans back conversion processes cannot be fitted by a single exponential decay. The possible reasons of this observation are examined and discussed. The present and former results clearly show that, in addition to tunneling processes, the decay rates strongly depend on solid-state effects. Therefore, simple theoretical predictions of decay rates, which do not take into account the solid-state effects, can only be compared to experimental observations only if experimenta...Continue Reading

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Citations

Feb 18, 2014·The Journal of Chemical Physics·C Araujo-AndradeR Fausto
Oct 16, 2012·The Journal of Physical Chemistry. a·Gábor BazsóGyörgy Tarczay
Mar 19, 2016·Angewandte Chemie·Jan Meisner, Johannes Kästner
Mar 13, 2014·Chemistry : a European Journal·Melanie ErteltWolfram Sander
Jun 2, 2015·Journal of the American Chemical Society·Peter R SchreinerWesley D Allen
Feb 14, 2015·The Journal of Physical Chemistry. a·Leonid Khriachtchev
Nov 14, 2014·The Journal of Physical Chemistry. a·Masashi Tsuge, Leonid Khriachtchev
Sep 16, 2014·The Journal of Physical Chemistry. a·Lenke KócsGyörgy Tarczay
Jun 7, 2014·The Journal of Physical Chemistry. B·Dennis Gerbig, Peter R Schreiner
Jun 2, 2016·Chemical Communications : Chem Comm·J Philipp WagnerPeter R Schreiner
Jun 8, 2013·The Journal of Physical Chemistry. a·Leszek LapinskiMaciej J Nowak
Dec 21, 2013·The Journal of Physical Chemistry. a·Adriana Olbert-MajkutMaria Wierzejewska
Sep 13, 2012·The Journal of Physical Chemistry. a·Hanna RostkowskaMaciej J Nowak
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Oct 14, 2017·Journal of the American Chemical Society·Peter R Schreiner
Mar 17, 2018·The Journal of Physical Chemistry Letters·Michael M LindenPeter R Schreiner

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