TY - JOUR
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
VL - 188
SP - 232
EP - 236
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 3-4
ER -