The microwave spectrum and structure for the HCCHCO complex

M. A. Roehrig; S. G. Kukolich

doi:10.1016/0009-2614(92)90014-E

The microwave spectrum and structure for the HCCHCO complex

M. A. Roehrig, S. G. Kukolich

Chemistry and Biochemistry

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Abstract

Rotational transitions were measured for five isotopomers of HCCHCO using a Flygare-Balle type microwave spectrometer. The observed spectrum is consistent with a linear, hydrogen-bonded HCCHCO structure. Measured rotational constants in MHz, are B = 1397.370(1) for HCCOCO, 1394.963(1) for HCCDCO, 1385.142(1) for HCCHCO, 1331.23(1) for DCCHCO and 1329.684(2) for DCCDCO. The measured rotational constants were fit to obtain a center-of-mass separation for HCCHCO of R*_c.m. = 5.018(7) Å. Distortion constants were obtained and analyzed to obtain a force constant and estimate the dissociation energy.

Original language	English (US)
Pages (from-to)	232-236
Number of pages	5
Journal	Chemical Physics Letters
Volume	188
Issue number	3-4
DOIs	https://doi.org/10.1016/0009-2614(92)90014-E
State	Published - Jan 10 1992

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(92)90014-E

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title = "The microwave spectrum and structure for the HCCHCO complex",

abstract = "Rotational transitions were measured for five isotopomers of HCCHCO using a Flygare-Balle type microwave spectrometer. The observed spectrum is consistent with a linear, hydrogen-bonded HCCHCO structure. Measured rotational constants in MHz, are B = 1397.370(1) for HCCOCO, 1394.963(1) for HCCDCO, 1385.142(1) for HCCHCO, 1331.23(1) for DCCHCO and 1329.684(2) for DCCDCO. The measured rotational constants were fit to obtain a center-of-mass separation for HCCHCO of R*c.m. = 5.018(7) {\AA}. Distortion constants were obtained and analyzed to obtain a force constant and estimate the dissociation energy.",

author = "Roehrig, {M. A.} and Kukolich, {S. G.}",

note = "Funding Information: We thank Qi-Qi Chen, Dave Wallacea nd Po-lyannaW ikrentf or helpi n takings pectraA. cknowl-edgemenits madet o the donorso f the Petroleum ResearchF und, administeredb y the American ChemicalS ociety,f or partial supporto f this re-searchT. he pulsedb eamm icrowaves pectrometer wasc onstructewd ith fundsf rom theN SF.",

year = "1992",

month = jan,

day = "10",

doi = "10.1016/0009-2614(92)90014-E",

language = "English (US)",

volume = "188",

pages = "232--236",

journal = "Chemical Physics Letters",

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T1 - The microwave spectrum and structure for the HCCHCO complex

AU - Roehrig, M. A.

AU - Kukolich, S. G.

N1 - Funding Information: We thank Qi-Qi Chen, Dave Wallacea nd Po-lyannaW ikrentf or helpi n takings pectraA. cknowl-edgemenits madet o the donorso f the Petroleum ResearchF und, administeredb y the American ChemicalS ociety,f or partial supporto f this re-searchT. he pulsedb eamm icrowaves pectrometer wasc onstructewd ith fundsf rom theN SF.

PY - 1992/1/10

Y1 - 1992/1/10

N2 - Rotational transitions were measured for five isotopomers of HCCHCO using a Flygare-Balle type microwave spectrometer. The observed spectrum is consistent with a linear, hydrogen-bonded HCCHCO structure. Measured rotational constants in MHz, are B = 1397.370(1) for HCCOCO, 1394.963(1) for HCCDCO, 1385.142(1) for HCCHCO, 1331.23(1) for DCCHCO and 1329.684(2) for DCCDCO. The measured rotational constants were fit to obtain a center-of-mass separation for HCCHCO of R*c.m. = 5.018(7) Å. Distortion constants were obtained and analyzed to obtain a force constant and estimate the dissociation energy.

AB - Rotational transitions were measured for five isotopomers of HCCHCO using a Flygare-Balle type microwave spectrometer. The observed spectrum is consistent with a linear, hydrogen-bonded HCCHCO structure. Measured rotational constants in MHz, are B = 1397.370(1) for HCCOCO, 1394.963(1) for HCCDCO, 1385.142(1) for HCCHCO, 1331.23(1) for DCCHCO and 1329.684(2) for DCCDCO. The measured rotational constants were fit to obtain a center-of-mass separation for HCCHCO of R*c.m. = 5.018(7) Å. Distortion constants were obtained and analyzed to obtain a force constant and estimate the dissociation energy.

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U2 - 10.1016/0009-2614(92)90014-E

DO - 10.1016/0009-2614(92)90014-E

M3 - Article

AN - SCOPUS:0001488883

SN - 0009-2614

VL - 188

SP - 232

EP - 236

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 3-4

ER -

The microwave spectrum and structure for the HCCHCO complex

Abstract

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