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

J. Andersen; René 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, René Wugt Larsen, J Ceponkus, P Uvdal^*, B Nelander

^*Corresponding author for this work

Department of Chemistry

Research output: Contribution to journal › Journal article › Research › peer-review

Abstract

The far-infrared spectrum of the weakly OH···π hydrogen-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 C₆D₆but 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
Journal	Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
Volume	124
Issue number	3
Pages (from-to)	513-519
ISSN	1089-5639
DOIs	https://doi.org/10.1021/acs.jpca.9b01497
Publication status	Published - 2020

Access to Document

10.1021/acs.jpca.9b01497

OpenUrl availability

Full text

Cite this

@article{e25fdc393c454b9599f9e762a152ecf3,

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···π hydrogen-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, {Ren{\'e} 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 Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory",

issn = "1089-5639",

publisher = "American Chemical Society",

number = "3",

}

Andersen, J, Larsen, RW, Ceponkus, J, Uvdal, P & Nelander, B 2020, 'Far-Infrared Investigation of the Benzene-Water Complex: The Identification of Large-Amplitude Motion and Tunneling Pathways', Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol. 124, no. 3, pp. 513-519. https://doi.org/10.1021/acs.jpca.9b01497

Far-Infrared Investigation of the Benzene-Water Complex: The Identification of Large-Amplitude Motion and Tunneling Pathways. / Andersen, J.; Larsen, René Wugt; Ceponkus, J et al.
In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 124, No. 3, 2020, p. 513-519.

Research output: Contribution to journal › Journal article › Research › peer-review

TY - JOUR

T1 - Far-Infrared Investigation of the Benzene-Water Complex: The Identification of Large-Amplitude Motion and Tunneling Pathways

AU - Andersen, J.

AU - Larsen, René Wugt

AU - Ceponkus, J

AU - Uvdal, P

AU - Nelander, B

PY - 2020

Y1 - 2020

N2 - The far-infrared spectrum of the weakly OH···π hydrogen-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···π hydrogen-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 - Journal article

C2 - 31815483

SN - 1089-5639

VL - 124

SP - 513

EP - 519

JO - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

JF - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

IS - 3

ER -

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

Abstract

Access to Document

OpenUrl availability

Fingerprint

Cite this