Rotational spectrum, structure, and modeling of the HCCH–(OCS)2HCCH–(OCS)2 trimer: Observation of a polar OCS dimer fragment
dc.contributor.author | Peebles, Sean A. | en_US |
dc.contributor.author | Kuczkowski, Robert L. | en_US |
dc.date.accessioned | 2010-05-06T21:04:17Z | |
dc.date.available | 2010-05-06T21:04:17Z | |
dc.date.issued | 1999-12-15 | en_US |
dc.identifier.citation | Peebles, Sean A.; Kuczkowski, Robert L. (1999). "Rotational spectrum, structure, and modeling of the HCCH–(OCS)2HCCH–(OCS)2 trimer: Observation of a polar OCS dimer fragment." The Journal of Chemical Physics 111(23): 10511-10519. <http://hdl.handle.net/2027.42/69741> | en_US |
dc.identifier.uri | https://hdl.handle.net/2027.42/69741 | |
dc.description.abstract | The rotational spectra of eight isotopomers of the HCCH–(OCS)2HCCH–(OCS)2 trimer have been assigned by pulsed nozzle, Fourier-transform microwave spectroscopy. The rotational constants and dipole moment components are consistent with a nonplanar, triangular-twisted structure of C1C1 symmetry which aligns the three monomer axes approximately 3°–27° away from perpendicular to a triangle formed by the center of HCCH and the carbons of OCS. The OCS dimer portion of the trimer has the two OCS monomers aligned in an almost parallel fashion such that the monomer dipole moments reinforce, rather than in the antiparallel arrangement observed in the well-known OCS dimer. This configuration has been obtained using a semiempirical model which employs a distributed multipole representation of the electrostatic interaction and analytical atom–atom terms to describe the dispersion and repulsion terms in the interaction potential. © 1999 American Institute of Physics. | en_US |
dc.format.extent | 3102 bytes | |
dc.format.extent | 122568 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 | Rotational spectrum, structure, and modeling of the HCCH–(OCS)2HCCH–(OCS)2 trimer: Observation of a polar OCS dimer fragment | 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/2027.42/69741/2/JCPSA6-111-23-10511-1.pdf | |
dc.identifier.doi | 10.1063/1.480404 | 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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