DOI: 10.1063/1.1731019. Application of Least-Squares Method to Gaseous Benzene in Electron Diffraction Investigation

Application of Least-Squares Method to Gaseous Benzene in Electron Diffraction Investigation

10.1063/1.1731019

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The intensity data of gaseous benzene obtained at 18°C by the sector-microphotometer technique in electron diffraction were analyzed by use of a least-squares method, D6h symmetry being assumed for the molecule. A total of thirteen parameters comprising two bond distances, seven root-mean-square amplitudes, three background parameters, and one intensity scale factor were refined in the least-squares treatment. Uncertainties in these parameters were determined by computing standard errors due to the over-all errors involving systematic and random errors. Results for bond distances r and root-mean-square amplitudes l are as follows: r(C–C)=1.3969±0.003 A;r(C–H)=1.0845±0.0020 A;l(C1–C2)=0.0456±0.003 A;l(C1···C3)=0.0555±0.005 A;l(C1···C4)=0.0614±0.009 A;l(C1–H1)=0.0748±0.010 A;l(C1···C3)=0.0975±0.008 A;l(C1···H3)=0.0925±0.016 A;l(C1···H4)=0.0960±0.0023 A. These values were compared with data available in the literature. An empirical formula is proposed for experimental background scattering and the selection of weighting factors in least-squares refinement is discussed.

Bibliography

Kimura, K., & Kubo, M. (1960). Application of Least-Squares Method to Gaseous Benzene in Electron Diffraction Investigation. The Journal of Chemical Physics, 32(6), 1776â1780.

Authors 2

Katsuma Kimura (first)
Masaji Kubo (additional)

References 20 Referenced 32

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Dates

Type	When
Created	20 years, 8 months ago (Jan. 5, 2005, 9:34 p.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 2:32 p.m.)
Indexed	1 year, 3 months ago (May 29, 2024, 10:09 p.m.)
Issued	65 years, 3 months ago (June 1, 1960)
Published	65 years, 3 months ago (June 1, 1960)
Published Print	65 years, 3 months ago (June 1, 1960)

Funders 0

None

BibTeX

@article{Kimura_1960, title={Application of Least-Squares Method to Gaseous Benzene in Electron Diffraction Investigation}, volume={32}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1731019}, DOI={10.1063/1.1731019}, number={6}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Kimura, Katsuma and Kubo, Masaji}, year={1960}, month=jun, pages={1776–1780} }

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