Infrared spectra of partially deuterated water dimers in the fundamental O–D stretch region-Reference-Cited by-同舟云学术

Infrared spectra of partially deuterated water dimers in the fundamental O–D stretch region

Published:2024-07-08 Issue:2 Volume:161 Page:
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:

Author:

Barclay A. J.¹,McKellar A. R. W.²^ORCID,Moazzen-Ahmadi N.¹^ORCID

Affiliation:

1. Department of Physics and Astronomy, University of Calgary, 2500 University Drive North West 1 , Calgary, Alberta T2N 1N4, Canada

2. National Research Council of Canada 2 , Ottawa, Ontario K1A 0R6, Canada

Abstract

Spectra of mixed H/D water dimers are studied in the mid-infrared region of the O–D stretch fundamental (2630–2800 cm−1) using a pulsed supersonic slit jet and a tunable optical parametric oscillator infrared source. Over 30 bands, belonging to nine of the ten possible isotopologues (only H2O–HOD is missed), are observed and analyzed. The implications for excited state tunneling splittings, lifetime effects, and vibrational shifts are discussed. These are the first significant new experimental results on (gas phase) mixed water dimers in over 25 years, and they are valuable for testing water dimer theoretical calculations, a field which continues to be of lively current interest.

Funder

Natural Sciences and Engineering Research Council of Canada

Publisher

AIP Publishing

Link

https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/5.0218733/20030933/024301_1_5.0218733.pdf

Reference33 articles.

1. The water dimer I: Experimental characterization

2. The water dimer II: Theoretical investigations

3. Group theoretical classification of the tunneling–rotational energy levels of water dimer

4. An accurate analytic representation of the water pair potential

5. Accurate ab initio and “hybrid” potential energy surfaces, intramolecular vibrational energies, and classical ir spectrum of the water dimer