Intermolecular vibrations of the water trimer, a matrix isolation study

Justinas Ceponkus; Gunnar Karlström; Bengt Nelander

doi:10.1021/jp052096v

Intermolecular vibrations of the water trimer, a matrix isolation study

Justinas Ceponkus, Gunnar Karlström, Bengt Nelander

Research output: Contribution to journal › Article › peer-review

Abstract

Infrared spectra from 25 to 4000 cm(-1) have been recorded of water (H2O, D2O and (H2O)-O-18) matrix isolated in neon, argon, and krypton matrices. Intermolecular absorption bands of different isotopologues of the water trimer and tetramer have been assigned from concentration dependencies and diffusion behavior, using the well-known mid-infrared trimer and tetramer absorption bands as measures of the trimer and tetramer concentrations. The results are compared to ab initio calculations.

Original language	English
Pages (from-to)	7859-7864
Journal	The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
Volume	109
Issue number	35
DOIs	https://doi.org/10.1021/jp052096v
Publication status	Published - 2005

Bibliographical note

The information about affiliations in this record was updated in December 2015.
The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039), Chemical Physics (S) (011001060)

Subject classification (UKÄ)

Theoretical Chemistry
Atom and Molecular Physics and Optics

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10.1021/jp052096v

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title = "Intermolecular vibrations of the water trimer, a matrix isolation study",

abstract = "Infrared spectra from 25 to 4000 cm(-1) have been recorded of water (H2O, D2O and (H2O)-O-18) matrix isolated in neon, argon, and krypton matrices. Intermolecular absorption bands of different isotopologues of the water trimer and tetramer have been assigned from concentration dependencies and diffusion behavior, using the well-known mid-infrared trimer and tetramer absorption bands as measures of the trimer and tetramer concentrations. The results are compared to ab initio calculations.",

author = "Justinas Ceponkus and Gunnar Karlstr{\"o}m and Bengt Nelander",

note = "The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039), Chemical Physics (S) (011001060)",

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T1 - Intermolecular vibrations of the water trimer, a matrix isolation study

AU - Ceponkus, Justinas

AU - Karlström, Gunnar

AU - Nelander, Bengt

N1 - The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039), Chemical Physics (S) (011001060)

PY - 2005

Y1 - 2005

N2 - Infrared spectra from 25 to 4000 cm(-1) have been recorded of water (H2O, D2O and (H2O)-O-18) matrix isolated in neon, argon, and krypton matrices. Intermolecular absorption bands of different isotopologues of the water trimer and tetramer have been assigned from concentration dependencies and diffusion behavior, using the well-known mid-infrared trimer and tetramer absorption bands as measures of the trimer and tetramer concentrations. The results are compared to ab initio calculations.

AB - Infrared spectra from 25 to 4000 cm(-1) have been recorded of water (H2O, D2O and (H2O)-O-18) matrix isolated in neon, argon, and krypton matrices. Intermolecular absorption bands of different isotopologues of the water trimer and tetramer have been assigned from concentration dependencies and diffusion behavior, using the well-known mid-infrared trimer and tetramer absorption bands as measures of the trimer and tetramer concentrations. The results are compared to ab initio calculations.

U2 - 10.1021/jp052096v

DO - 10.1021/jp052096v

M3 - Article

C2 - 16834166

SN - 1520-5215

VL - 109

SP - 7859

EP - 7864

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

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

IS - 35

ER -

Intermolecular vibrations of the water trimer, a matrix isolation study

Abstract

Bibliographical note

Subject classification (UKÄ)

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