Quantitative characterization of the water trimer torsional manifold by terahertz laser spectroscopy and theoretical analysis. II. (H2O)3

Mac G. Brown; Mark R. Viant; Ryan P. McLaughlin; Christy J. Keoshian; Ernest Michael; Jeff D. Cruzan; Richard J. Saykally; Ad Van Der Avoird

doi:10.1063/1.480114

Quantitative characterization of the water trimer torsional manifold by terahertz laser spectroscopy and theoretical analysis. II. (H₂O)₃

Mac G. Brown, Mark R. Viant, Ryan P. McLaughlin, Christy J. Keoshian, Ernest Michael, Jeff D. Cruzan, Richard J. Saykally^*, Ad Van Der Avoird

^*Corresponding author for this work

Biosciences

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

Abstract

We report the measurement of two new (H₂O)₃ bands by terahertz laser vibration-rotation-tunneling (VRT) spectroscopy. Both bands have been assigned to torsional ("pseudorotational") transitions and are highly perturbed by Coriolis interactions. The 42.9 cm^-1 band corresponds to the k = ± 2 ← ± 1 transition while the 65.6 cm^-1 band corresponds to the k = ± 2 ← 0 transition. A model Hamiltonian is derived which allowed a global fit of 361 VRT transitions of these two new bands and the previously reported torsional band at 87.1 cm^-1. Each of the bifurcation tunneling components is accurately described. This global fit represents a complete description of the VRT transitions of (H₂O)₃ up to 150 cm^-1, and complements our similar treatment of the (D₂O)₃ torsional dynamics.

Original language	English
Pages (from-to)	7789-7800
Number of pages	12
Journal	Journal of Chemical Physics
Volume	111
Issue number	17
DOIs	https://doi.org/10.1063/1.480114
Publication status	Published - 1 Nov 1999

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.480114

Cite this

@article{cf49badc58264cbb934f565497424adf,

title = "Quantitative characterization of the water trimer torsional manifold by terahertz laser spectroscopy and theoretical analysis. II. (H2O)3",

abstract = "We report the measurement of two new (H2O)3 bands by terahertz laser vibration-rotation-tunneling (VRT) spectroscopy. Both bands have been assigned to torsional ({"}pseudorotational{"}) transitions and are highly perturbed by Coriolis interactions. The 42.9 cm-1 band corresponds to the k = ± 2 ← ± 1 transition while the 65.6 cm-1 band corresponds to the k = ± 2 ← 0 transition. A model Hamiltonian is derived which allowed a global fit of 361 VRT transitions of these two new bands and the previously reported torsional band at 87.1 cm-1. Each of the bifurcation tunneling components is accurately described. This global fit represents a complete description of the VRT transitions of (H2O)3 up to 150 cm-1, and complements our similar treatment of the (D2O)3 torsional dynamics.",

author = "Brown, {Mac G.} and Viant, {Mark R.} and McLaughlin, {Ryan P.} and Keoshian, {Christy J.} and Ernest Michael and Cruzan, {Jeff D.} and Saykally, {Richard J.} and {Van Der Avoird}, Ad",

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T1 - Quantitative characterization of the water trimer torsional manifold by terahertz laser spectroscopy and theoretical analysis. II. (H2O)3

AU - Brown, Mac G.

AU - Viant, Mark R.

AU - McLaughlin, Ryan P.

AU - Keoshian, Christy J.

AU - Michael, Ernest

AU - Cruzan, Jeff D.

AU - Saykally, Richard J.

AU - Van Der Avoird, Ad

PY - 1999/11/1

Y1 - 1999/11/1

N2 - We report the measurement of two new (H2O)3 bands by terahertz laser vibration-rotation-tunneling (VRT) spectroscopy. Both bands have been assigned to torsional ("pseudorotational") transitions and are highly perturbed by Coriolis interactions. The 42.9 cm-1 band corresponds to the k = ± 2 ← ± 1 transition while the 65.6 cm-1 band corresponds to the k = ± 2 ← 0 transition. A model Hamiltonian is derived which allowed a global fit of 361 VRT transitions of these two new bands and the previously reported torsional band at 87.1 cm-1. Each of the bifurcation tunneling components is accurately described. This global fit represents a complete description of the VRT transitions of (H2O)3 up to 150 cm-1, and complements our similar treatment of the (D2O)3 torsional dynamics.

AB - We report the measurement of two new (H2O)3 bands by terahertz laser vibration-rotation-tunneling (VRT) spectroscopy. Both bands have been assigned to torsional ("pseudorotational") transitions and are highly perturbed by Coriolis interactions. The 42.9 cm-1 band corresponds to the k = ± 2 ← ± 1 transition while the 65.6 cm-1 band corresponds to the k = ± 2 ← 0 transition. A model Hamiltonian is derived which allowed a global fit of 361 VRT transitions of these two new bands and the previously reported torsional band at 87.1 cm-1. Each of the bifurcation tunneling components is accurately described. This global fit represents a complete description of the VRT transitions of (H2O)3 up to 150 cm-1, and complements our similar treatment of the (D2O)3 torsional dynamics.

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