Literature DB >> 23822242

The coupling between translation and rotation for monomeric water in noble gas matrices.

J Ceponkus1, P Uvdal, B Nelander.   

Abstract

The rotation of water in noble gas matrices has been studied. It is shown that the rotation-translation coupling model of Friedmann and Kimel predicts rotation line spacings, which are close to the experimental observations for H2O, D2O, and HDO, when gas phase rotation constants are used. The model gives intensity estimates in reasonable agreement with the observations for the local oscillator bands, which accompany the rotation spectrum. It also predicts the intensity variations in the bending region of H2O between neon, argon, and krypton matrices.

Entities:  

Year:  2013        PMID: 23822242     DOI: 10.1063/1.4810753

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  2 in total

1.  Toward Elimination of Discrepancies between Theory and Experiment: Anharmonic Rotational-Vibrational Spectrum of Water in Solid Noble Gas Matrices.

Authors:  Dennis F Dinu; Maren Podewitz; Hinrich Grothe; Klaus R Liedl; Thomas Loerting
Journal:  J Phys Chem A       Date:  2019-09-12       Impact factor: 2.781

2.  On the synergy of matrix-isolation infrared spectroscopy and vibrational configuration interaction computations.

Authors:  Dennis F Dinu; Maren Podewitz; Hinrich Grothe; Thomas Loerting; Klaus R Liedl
Journal:  Theor Chem Acc       Date:  2020-11-09       Impact factor: 1.702

  2 in total

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