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Far-Infrared Investigation of the Benzene-Water Complex : The Identification of Large-Amplitude Motion and Tunneling Pathways

Andersen, J. ; Larsen, R. Wugt LU ; Ceponkus, J. ; Uvdal, P. LU and Nelander, B. LU (2020) In Journal of Physical Chemistry A 124(3). p.513-519
Abstract

The far-infrared spectrum of the weakly OH···πhydrogen-bonded benzene-water complex has been studied in neon and argon matrices, below 30 K. The in-plane water libration has been observed in both neon and argon for H2O and D2O complexed with C6H6 and C6D6 but not for the corresponding complexes involving HDO. Both H2O and D2O can tunnel between the two possible hydrogen bonds. This is not possible for HDO. The reported far-infrared observations have implications for the interpretation of the previously obtained molecular beam microwave spectrum of the benzene-water complex.

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author
; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Physical Chemistry A
volume
124
issue
3
pages
513 - 519
publisher
The American Chemical Society (ACS)
external identifiers
  • pmid:31815483
  • scopus:85078236558
ISSN
1089-5639
DOI
10.1021/acs.jpca.9b01497
language
English
LU publication?
yes
id
0bda0b5d-29aa-4c46-98b8-329e970525fd
date added to LUP
2020-02-10 14:29:00
date last changed
2025-01-10 06:48:14
@article{0bda0b5d-29aa-4c46-98b8-329e970525fd,
  abstract     = {{<p>The far-infrared spectrum of the weakly OH···πhydrogen-bonded benzene-water complex has been studied in neon and argon matrices, below 30 K. The in-plane water libration has been observed in both neon and argon for H<sub>2</sub>O and D<sub>2</sub>O complexed with C<sub>6</sub>H<sub>6</sub> and C<sub>6</sub>D<sub>6</sub> but not for the corresponding complexes involving HDO. Both H<sub>2</sub>O and D<sub>2</sub>O can tunnel between the two possible hydrogen bonds. This is not possible for HDO. The reported far-infrared observations have implications for the interpretation of the previously obtained molecular beam microwave spectrum of the benzene-water complex.</p>}},
  author       = {{Andersen, J. and Larsen, R. Wugt and Ceponkus, J. and Uvdal, P. and Nelander, B.}},
  issn         = {{1089-5639}},
  language     = {{eng}},
  number       = {{3}},
  pages        = {{513--519}},
  publisher    = {{The American Chemical Society (ACS)}},
  series       = {{Journal of Physical Chemistry A}},
  title        = {{Far-Infrared Investigation of the Benzene-Water Complex : The Identification of Large-Amplitude Motion and Tunneling Pathways}},
  url          = {{http://dx.doi.org/10.1021/acs.jpca.9b01497}},
  doi          = {{10.1021/acs.jpca.9b01497}},
  volume       = {{124}},
  year         = {{2020}},
}