High-resolution rotational analysis of the lowest D-O overtone bands of deuterated hypochlorous acid: 2v1 and 3v1

Yun Ding; O. N. Ulenikov; E. S. Bekhtereva; Jing Jing Zheng; Sheng Gui He; Xiang Huai Wang; Shui Ming Hu; Qing Shi Zhu

doi:10.1006/jmsp.2001.8422

High-resolution rotational analysis of the lowest D-O overtone bands of deuterated hypochlorous acid: 2v₁ and 3v₁

Yun Ding, O. N. Ulenikov, E. S. Bekhtereva, Jing Jing Zheng, Sheng Gui He, Xiang Huai Wang, Shui Ming Hu, Qing Shi Zhu

Chemistry (Twin Cities)

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

Abstract

The high-resolution Fourier transform spectrum of the DO³⁵Cl molecule was recorded and analyzed in the region of the two lowest D-O overtone bands, 2v₁ and 3v₁. Because of the presence of strong resonance interactions, the influence of the (130) state on the (200) state, and also that of the (221), (230) states on the (300) sate, was taken into account. Transitions belonging to the 2v₁ and 3v₁ bands were assigned up to J^max = 35 in both cases. The sets of spectroscopic parameters and resonance coefficients obtained from the fit reproduce the "experimental" rovibrational energies of the (200) and (300) vibrational states with accuracies close to experimental uncertainties.

Original language	English (US)
Article number	98422
Pages (from-to)	233-241
Number of pages	9
Journal	Journal of molecular spectroscopy
Volume	209
Issue number	2
DOIs	https://doi.org/10.1006/jmsp.2001.8422
State	Published - 2001

Bibliographical note

Funding Information:
This work was partially supported by the National Project for the Development of Key Fundamental Sciences in China, by the National Natural Science Foundation of China, by the Foundation of the Chinese Academy of Science, and by the Ministry of Education of Russian Federation. O. Ulenikov thanks the University of Science and Technology of China for a guest professorship.

Keywords

DOCl molecule
Rotation-vibration spectra
Spectroscopic parameters

Publisher link

10.1006/jmsp.2001.8422

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@article{7bf362a7962e4ee9afc2212ab6710ebb,

title = "High-resolution rotational analysis of the lowest D-O overtone bands of deuterated hypochlorous acid: 2v1 and 3v1",

abstract = "The high-resolution Fourier transform spectrum of the DO35Cl molecule was recorded and analyzed in the region of the two lowest D-O overtone bands, 2v1 and 3v1. Because of the presence of strong resonance interactions, the influence of the (130) state on the (200) state, and also that of the (221), (230) states on the (300) sate, was taken into account. Transitions belonging to the 2v1 and 3v1 bands were assigned up to Jmax = 35 in both cases. The sets of spectroscopic parameters and resonance coefficients obtained from the fit reproduce the {"}experimental{"} rovibrational energies of the (200) and (300) vibrational states with accuracies close to experimental uncertainties.",

keywords = "DOCl molecule, Rotation-vibration spectra, Spectroscopic parameters",

author = "Yun Ding and Ulenikov, {O. N.} and Bekhtereva, {E. S.} and Zheng, {Jing Jing} and He, {Sheng Gui} and Wang, {Xiang Huai} and Hu, {Shui Ming} and Zhu, {Qing Shi}",

note = "Funding Information: This work was partially supported by the National Project for the Development of Key Fundamental Sciences in China, by the National Natural Science Foundation of China, by the Foundation of the Chinese Academy of Science, and by the Ministry of Education of Russian Federation. O. Ulenikov thanks the University of Science and Technology of China for a guest professorship.",

year = "2001",

doi = "10.1006/jmsp.2001.8422",

language = "English (US)",

volume = "209",

pages = "233--241",

journal = "Journal of molecular spectroscopy",

issn = "0022-2852",

publisher = "Academic Press Inc.",

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TY - JOUR

T1 - High-resolution rotational analysis of the lowest D-O overtone bands of deuterated hypochlorous acid

T2 - 2v1 and 3v1

AU - Ding, Yun

AU - Ulenikov, O. N.

AU - Bekhtereva, E. S.

AU - Zheng, Jing Jing

AU - He, Sheng Gui

AU - Wang, Xiang Huai

AU - Hu, Shui Ming

AU - Zhu, Qing Shi

N1 - Funding Information: This work was partially supported by the National Project for the Development of Key Fundamental Sciences in China, by the National Natural Science Foundation of China, by the Foundation of the Chinese Academy of Science, and by the Ministry of Education of Russian Federation. O. Ulenikov thanks the University of Science and Technology of China for a guest professorship.

PY - 2001

Y1 - 2001

N2 - The high-resolution Fourier transform spectrum of the DO35Cl molecule was recorded and analyzed in the region of the two lowest D-O overtone bands, 2v1 and 3v1. Because of the presence of strong resonance interactions, the influence of the (130) state on the (200) state, and also that of the (221), (230) states on the (300) sate, was taken into account. Transitions belonging to the 2v1 and 3v1 bands were assigned up to Jmax = 35 in both cases. The sets of spectroscopic parameters and resonance coefficients obtained from the fit reproduce the "experimental" rovibrational energies of the (200) and (300) vibrational states with accuracies close to experimental uncertainties.

AB - The high-resolution Fourier transform spectrum of the DO35Cl molecule was recorded and analyzed in the region of the two lowest D-O overtone bands, 2v1 and 3v1. Because of the presence of strong resonance interactions, the influence of the (130) state on the (200) state, and also that of the (221), (230) states on the (300) sate, was taken into account. Transitions belonging to the 2v1 and 3v1 bands were assigned up to Jmax = 35 in both cases. The sets of spectroscopic parameters and resonance coefficients obtained from the fit reproduce the "experimental" rovibrational energies of the (200) and (300) vibrational states with accuracies close to experimental uncertainties.

KW - DOCl molecule

KW - Rotation-vibration spectra

KW - Spectroscopic parameters

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