Electron diffraction studies of hot molecules. IV. Asymmetries of nonbonded distribution functions of SF6, SiF4, and CF4
dc.contributor.author | Bartell, Lawrence S. | en_US |
dc.contributor.author | Stanton, John F. | en_US |
dc.date.accessioned | 2010-05-06T22:13:11Z | |
dc.date.available | 2010-05-06T22:13:11Z | |
dc.date.issued | 1984-11-01 | en_US |
dc.identifier.citation | Bartell, Lawrence S.; Stanton, John F. (1984). "Electron diffraction studies of hot molecules. IV. Asymmetries of nonbonded distribution functions of SF6, SiF4, and CF4." The Journal of Chemical Physics 81(9): 3792-3795. <http://hdl.handle.net/2027.42/70475> | en_US |
dc.identifier.uri | https://hdl.handle.net/2027.42/70475 | |
dc.description.abstract | Highly significant improvements in the agreement between observed and calculated intensities of electrons diffracted by hot molecules were obtained by optimizing the skew parameter â for the nonbonded distributions. Derived â values (±2σ) were 2.75(11), 0.72(13), and 2.0(4) Å−1 for SF6, SiF4, and CF4, respectively. These measured skew parameters are approximately 2 Å−1 higher in each case than values previously proposed on the basis of Morse asymmetry factors and the nonlinear transformation between curvilinear and normal coordinates of molecules. The principal factor responsible for the increase is the previously unknown intrinsic anharmonicity in bending deformations. Silicon tetrafluoride has a lower â value than the other molecules studied primarily because its bending force constant is lower, relative to stretching. Practical as well as theoretical implications of present findings are discussed. | en_US |
dc.format.extent | 3102 bytes | |
dc.format.extent | 305359 bytes | |
dc.format.mimetype | text/plain | |
dc.format.mimetype | application/pdf | |
dc.publisher | The American Institute of Physics | en_US |
dc.rights | © The American Institute of Physics | en_US |
dc.title | Electron diffraction studies of hot molecules. IV. Asymmetries of nonbonded distribution functions of SF6, SiF4, and CF4 | en_US |
dc.type | Article | en_US |
dc.subject.hlbsecondlevel | Physics | en_US |
dc.subject.hlbtoplevel | Science | en_US |
dc.description.peerreviewed | Peer Reviewed | en_US |
dc.contributor.affiliationum | Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109 | en_US |
dc.description.bitstreamurl | http://deepblue.lib.umich.edu/bitstream/2027.42/70475/2/JCPSA6-81-9-3792-1.pdf | |
dc.identifier.doi | 10.1063/1.448179 | en_US |
dc.identifier.source | The Journal of Chemical Physics | en_US |
dc.identifier.citedreference | S. R. Goates and L. S. Bartell, J. Chem. Phys. 77, 1866 (1982). | en_US |
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dc.identifier.citedreference | See S. J. Cyvin, Molecular Vibrations and Mean Square Amplitudes (Elsevier, Amsterdam, 1968). | en_US |
dc.identifier.citedreference | L. S. Bartell, J. Mol. Struct. 116, 279 (1984). | en_US |
dc.identifier.citedreference | J. F. Stanton and L. S. Bartell (unpublished research). | en_US |
dc.identifier.citedreference | R. L. Hilderbrandt and D. A. Kohl, Theochem. 2, 25 (1981); D. A. Kohl and R. L. Hilderbrandt, 2, 325 (1981). | en_US |
dc.identifier.citedreference | W. C. Hamilton, Statistics in Physical Science (Ronald, New York, 1964). | en_US |
dc.identifier.citedreference | E. J. Jacob and L. S. Bartell, J. Chem. Phys. 53, 2235 (1970). | en_US |
dc.identifier.citedreference | L. S. Bartell, J. Mol. Struct. 63, 259 (1981). | en_US |
dc.identifier.citedreference | Normal coordinate treatment with bond amplitude corrected for Morse anharmonicity as by K. Kuchitsu, Bull. Chem. Soc. Jpn. 40, 498, 505 (1967). | en_US |
dc.owningcollname | Physics, Department of |
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