Microwave spectrum, structure, barrier to internal rotation, dipole moment, and deuterium quadupole coupling constants of the ethylene–sulfur dioxide complex
dc.contributor.author | Andrews, Anne M. | en_US |
dc.contributor.author | Taleb‐bendiab, Amine | en_US |
dc.contributor.author | LaBarge, Marabeth S. | en_US |
dc.contributor.author | Hillig, Kurt W. II | en_US |
dc.contributor.author | Kuczkowski, Robert L. | en_US |
dc.date.accessioned | 2010-05-06T22:52:40Z | |
dc.date.available | 2010-05-06T22:52:40Z | |
dc.date.issued | 1990-11-15 | en_US |
dc.identifier.citation | Andrews, Anne M.; Taleb‐Bendiab, Amine; LaBarge, Marabeth S.; Hillig, Kurt W.; Kuczkowski, Robert L. (1990). "Microwave spectrum, structure, barrier to internal rotation, dipole moment, and deuterium quadupole coupling constants of the ethylene–sulfur dioxide complex." The Journal of Chemical Physics 93(10): 7030-7040. <http://hdl.handle.net/2027.42/70892> | en_US |
dc.identifier.uri | https://hdl.handle.net/2027.42/70892 | |
dc.description.abstract | The microwave spectra of the complex between ethylene and sulfur dioxide and nine of its isotopic species have been observed in a Fourier transform microwave spectrometer. The spectra exhibit a and c dipole selection rules; transitions of the normal species and several of the isotopically substituted species occur as tunneling doublets. The complex has a stacked structure with Cs symmetry; the C2H4 and SO2 moieties both straddle the mirror plane with the C2 axis of SO2 crossed at 90 ° to the carbon–carbon bond axis (i.e., only the S atom lies in the symmetry plane). The distance between the centers of mass (Rcm) of C2H4 and SO2 is 3.504(1) Å and the deviation of their planes from perpendicular to Rcm is 21(2) ° and 12(2) °, respectively. The tunneling splittings arise from a rotation of the ethylene subunit in its molecular plane. The barrier to internal rotation is 30(2) cm−1. The dipole moment of the complex is 1.650(3)D. The deuterium nuclear quadrupole coupling constants for C2H3D⋅SO2 are χaa=−0.119(1) MHz, χbb=0.010(1) MHz, and χcc=0.109(1) MHz. The binding energy is estimated to be 490 cm−1 from the pseudo‐diatomic approximation. A distributed multipole electrostatic model is explored to rationalize the structure and binding energies. | en_US |
dc.format.extent | 3102 bytes | |
dc.format.extent | 870030 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 | Microwave spectrum, structure, barrier to internal rotation, dipole moment, and deuterium quadupole coupling constants of the ethylene–sulfur dioxide complex | 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, The University of Michigan, Ann Arbor, Michigan 48109‐1055 | en_US |
dc.description.bitstreamurl | http://deepblue.lib.umich.edu/bitstream/2027.42/70892/2/JCPSA6-93-10-7030-1.pdf | |
dc.identifier.doi | 10.1063/1.459425 | en_US |
dc.identifier.source | The Journal of Chemical Physics | en_US |
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dc.owningcollname | Physics, Department of |
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