DOI: 10.1063/1.442316. The rotational spectrum, structure, and molecular properties of the ethylene

The rotational spectrum, structure, and molecular properties of the ethylene–HCl dimer

10.1063/1.442316

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Three isotopic species of a hydrogen bonded dimer formed between ethylene and HCl have been observed through assignment of their rotational spectra using a pulsed, Fourier transform microwave spectrometer in which a gas mixture is pulsed into an evacuated Fabry–Perot cavity. The spectra unambiguously reveal a nonplanar, near prolate, asymmetric top (κ = −0.9880) in its ground vibrational state. The equilibrium structure has C2V symmetry with the HCl on the C2 symmetry axis of the dimer, perpendicular to the carbon–carbon bonding axis with the hydrogen atom located between the chlorine and the ethylene molecule, pointing midway between the carbon atoms. The chlorine atom is situated, on average, 3.724 Å from the edge of the ethylene molecule. The following spectroscopic constants have been obtained for the ethylene–H35Cl dimer: the rotational constants are A = 25 457(349), B = 2308.143(3), and C = 2167.970(3) in units of MHz; the chlorine nucleus quadrupole coupling constants are χaa = −54.076(4), χbb = 27.091(6), and χcc = 26.985(10) in units of MHz, and the centrifugal distortion constants are DJ = 7.2(2) and DJK = 282(5) in units of kHz.

Bibliography

Aldrich, P. D., Legon, A. C., & Flygare, W. H. (1981). The rotational spectrum, structure, and molecular properties of the ethyleneâHCl dimer. The Journal of Chemical Physics, 75(5), 2126â2134.

Authors 3

P. D. Aldrich (first)
A. C. Legon (additional)
W. H. Flygare (additional)

References 25 Referenced 115

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Dates

Type	When
Created	22 years, 6 months ago (Feb. 28, 2003, 11:03 a.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 5:58 p.m.)
Indexed	1 year ago (Aug. 2, 2024, 9:13 a.m.)
Issued	43 years, 11 months ago (Sept. 1, 1981)
Published	43 years, 11 months ago (Sept. 1, 1981)
Published Print	43 years, 11 months ago (Sept. 1, 1981)

Funders 0

None

BibTeX

@article{Aldrich_1981, title={The rotational spectrum, structure, and molecular properties of the ethylene–HCl dimer}, volume={75}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.442316}, DOI={10.1063/1.442316}, number={5}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Aldrich, P. D. and Legon, A. C. and Flygare, W. H.}, year={1981}, month=sep, pages={2126–2134} }

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