The high-resolution infrared spectrum of isoxazole vapor between 800 and 1700 cm(-1)

F Hegelund; René Wugt Larsen; F M Nicolaisen; M H Palmer

doi:10.1016/j.jms.2004.09.010

The high-resolution infrared spectrum of isoxazole vapor between 800 and 1700 cm(-1)

F Hegelund, René Wugt Larsen, F M Nicolaisen, M H Palmer

MAX IV Laboratory

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

Abstract

The Fourier transform gas-phase IR spectrum of isoxazole, C3H3NO, between 550 and 1700 cm(-1) was measured with a resolution of ca. 0.003 cm(-1). Ten fundamental bands in the region 800-1700 cm(-1) have been analyzed by the Watson Hamiltonian model to yield upper state spectroscopic constants. A number of local resonances have been identified in the bands and explained qualitatively, and the unobserved nu(14)(A") fundamental band has been located at 897.5(5) cm(-1) from its perturbation effects on the neighboring fundamentals.

Original language	English
Pages (from-to)	244-256
Journal	Journal of Molecular Spectroscopy
Volume	229
Issue number	2
DOIs	https://doi.org/10.1016/j.jms.2004.09.010
Publication status	Published - 2005

Subject classification (UKÄ)

Natural Sciences
Physical Sciences

Keywords

fundamental bands
isoxazole
infrared
rotational constants

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10.1016/j.jms.2004.09.010

Cite this

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title = "The high-resolution infrared spectrum of isoxazole vapor between 800 and 1700 cm(-1)",

abstract = "The Fourier transform gas-phase IR spectrum of isoxazole, C3H3NO, between 550 and 1700 cm(-1) was measured with a resolution of ca. 0.003 cm(-1). Ten fundamental bands in the region 800-1700 cm(-1) have been analyzed by the Watson Hamiltonian model to yield upper state spectroscopic constants. A number of local resonances have been identified in the bands and explained qualitatively, and the unobserved nu(14)(A{"}) fundamental band has been located at 897.5(5) cm(-1) from its perturbation effects on the neighboring fundamentals.",

keywords = "fundamental bands, isoxazole, infrared, rotational constants",

author = "F Hegelund and {Wugt Larsen}, Ren{\'e} and Nicolaisen, {F M} and Palmer, {M H}",

year = "2005",

doi = "10.1016/j.jms.2004.09.010",

language = "English",

volume = "229",

pages = "244--256",

journal = "Journal of Molecular Spectroscopy",

issn = "0022-2852",

publisher = "Elsevier",

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TY - JOUR

T1 - The high-resolution infrared spectrum of isoxazole vapor between 800 and 1700 cm(-1)

AU - Hegelund, F

AU - Wugt Larsen, René

AU - Nicolaisen, F M

AU - Palmer, M H

PY - 2005

Y1 - 2005

N2 - The Fourier transform gas-phase IR spectrum of isoxazole, C3H3NO, between 550 and 1700 cm(-1) was measured with a resolution of ca. 0.003 cm(-1). Ten fundamental bands in the region 800-1700 cm(-1) have been analyzed by the Watson Hamiltonian model to yield upper state spectroscopic constants. A number of local resonances have been identified in the bands and explained qualitatively, and the unobserved nu(14)(A") fundamental band has been located at 897.5(5) cm(-1) from its perturbation effects on the neighboring fundamentals.

AB - The Fourier transform gas-phase IR spectrum of isoxazole, C3H3NO, between 550 and 1700 cm(-1) was measured with a resolution of ca. 0.003 cm(-1). Ten fundamental bands in the region 800-1700 cm(-1) have been analyzed by the Watson Hamiltonian model to yield upper state spectroscopic constants. A number of local resonances have been identified in the bands and explained qualitatively, and the unobserved nu(14)(A") fundamental band has been located at 897.5(5) cm(-1) from its perturbation effects on the neighboring fundamentals.

KW - fundamental bands

KW - isoxazole

KW - infrared

KW - rotational constants

U2 - 10.1016/j.jms.2004.09.010

DO - 10.1016/j.jms.2004.09.010

M3 - Article

SN - 0022-2852

VL - 229

SP - 244

EP - 256

JO - Journal of Molecular Spectroscopy

JF - Journal of Molecular Spectroscopy

IS - 2

ER -

The high-resolution infrared spectrum of isoxazole vapor between 800 and 1700 cm(-1)

Abstract

Subject classification (UKÄ)

Keywords

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