DOI: 10.1063/1.1703223. Electron-Diffraction Study of the Structures of C2H4 and C2D4

Electron-Diffraction Study of the Structures of C2H4 and C2D4

10.1063/1.1703223

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The structures of ethylene and deuteroethylene were investigated by electron diffraction to resolve apparent discrepancies between earlier diffraction and spectroscopic studies. Satisfactory agreement with the previous diffraction study was found for five of the six molecular parameters determined but a difference of five standard deviations was encountered for the C–H bond length. Mean bond lengths and standard errors for C2H4 obtained in the present investigation were rg(CH)=1.1030±0.0018 Å and rg(CC)=1.3369±0.0016 Å. Corresponding lengths for C2D4 were rg(CD)=1.099±0.003 Å and rg(CC)=1.338±0.003 Å. Bond angles, corrected for shrinkage effects, were ∠CCH=121.4±0.6° and ∠CCD=121.4±0.8°. The new diffraction results are compared with mean bond lengths and angles calculated from spectroscopic rotational constants taking rotation—vibration interactions into account. Excellent agreement is found. Significant differences exist, however, between the conventional bond-length parameters derived by spectroscopy and diffraction. Root-mean-square amplitudes of vibration were also determined by diffraction, and these agreed satisfactorily with amplitudes calculated from vibrational frequencies.

Bibliography

Bartell, L. S., Roth, E. A., Hollowell, C. D., Kuchitsu, K., & Young, J. E. (1965). Electron-Diffraction Study of the Structures of C2H4 and C2D4. The Journal of Chemical Physics, 42(8), 2683â2686.

Authors 5

L. S. Bartell (first)
E. A. Roth (additional)
C. D. Hollowell (additional)
Kozo Kuchitsu (additional)
J. E. Young (additional)

References 25 Referenced 193

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Dates

Type	When
Created	20 years, 7 months ago (Jan. 10, 2005, 10:16 a.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 6:35 p.m.)
Indexed	1 month, 1 week ago (July 22, 2025, 6:56 a.m.)
Issued	60 years, 4 months ago (April 15, 1965)
Published	60 years, 4 months ago (April 15, 1965)
Published Print	60 years, 4 months ago (April 15, 1965)

Funders 0

None

BibTeX

@article{Bartell_1965, title={Electron-Diffraction Study of the Structures of C2H4 and C2D4}, volume={42}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1703223}, DOI={10.1063/1.1703223}, number={8}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Bartell, L. S. and Roth, E. A. and Hollowell, C. D. and Kuchitsu, Kozo and Young, J. E.}, year={1965}, month=apr, pages={2683–2686} }

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