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

J. Andersen; R. Wugt Larsen; J. Ceponkus; P. Uvdal; B. Nelander

doi:10.1021/acs.jpca.9b01497

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

J. Andersen, R. Wugt Larsen, J. Ceponkus, P. Uvdal, B. Nelander

Chemical Physics

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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.

Original language	English
Pages (from-to)	513-519
Journal	Journal of Physical Chemistry A
Volume	124
Issue number	3
DOIs	https://doi.org/10.1021/acs.jpca.9b01497
Publication status	Published - 2020

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Physical Chemistry

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10.1021/acs.jpca.9b01497

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

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.",

author = "J. Andersen and Larsen, {R. Wugt} and J. Ceponkus and P. Uvdal and B. Nelander",

year = "2020",

doi = "10.1021/acs.jpca.9b01497",

language = "English",

volume = "124",

pages = "513--519",

journal = "Journal of Physical Chemistry A",

issn = "1089-5639",

publisher = "The American Chemical Society (ACS)",

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TY - JOUR

T1 - Far-Infrared Investigation of the Benzene-Water Complex

T2 - The Identification of Large-Amplitude Motion and Tunneling Pathways

AU - Andersen, J.

AU - Larsen, R. Wugt

AU - Ceponkus, J.

AU - Uvdal, P.

AU - Nelander, B.

PY - 2020

Y1 - 2020

N2 - 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.

AB - 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.

U2 - 10.1021/acs.jpca.9b01497

DO - 10.1021/acs.jpca.9b01497

M3 - Article

C2 - 31815483

AN - SCOPUS:85078236558

SN - 1089-5639

VL - 124

SP - 513

EP - 519

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 3

ER -

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

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