Experimental and ab initio determination of the bending potential of HCP
dc.contributor.author | Lehmann, Kevin K. | en_US |
dc.contributor.author | Ross, Stephen C. | en_US |
dc.contributor.author | Lohr, Lawrence L. Jr. | en_US |
dc.date.accessioned | 2010-05-06T21:27:58Z | |
dc.date.available | 2010-05-06T21:27:58Z | |
dc.date.issued | 1985-05-15 | en_US |
dc.identifier.citation | Lehmann, Kevin K.; Ross, Stephen C.; Lohr, Lawrence L. (1985). "Experimental and ab initio determination of the bending potential of HCP." The Journal of Chemical Physics 82(10): 4460-4469. <http://hdl.handle.net/2027.42/69992> | en_US |
dc.identifier.uri | https://hdl.handle.net/2027.42/69992 | |
dc.description.abstract | The emission properties of HCP excited to the A, B, and d electronic states have been studied. Lifetimes and quenching rates have been measured. By spectrally resolving the emission spectrum, the energy of 94 vibrational levels of the ground electronic state have been measured to an accuracy of ≈5 cm−1. These energy levels were fit to experimental accuracy by a rigid bender Hamiltonian thereby determining the bending potential over a range of bending angle from 0 to 100° (0–17 500 cm−1). An ab initio bending potential has been computed for HCP and found to be in excellent agreement with the experimentally fitted one over the range that the experimental data span. This potential predicts that HPC has an energy maximum with respect to the bending coordinate. The bending potential decreases monotonically by about 30 000 cm−1 in going from HPC to HCP. | en_US |
dc.format.extent | 3102 bytes | |
dc.format.extent | 755440 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 | Experimental and ab initio determination of the bending potential of HCP | 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 | en_US |
dc.contributor.affiliationother | Department of Chemistry, Harvard University, Cambridge, Massachusetts and George R. Harrison Spectroscopy Laboratory, M.I.T., Cambridge, Massachusetts | en_US |
dc.contributor.affiliationother | Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada | en_US |
dc.description.bitstreamurl | http://deepblue.lib.umich.edu/bitstream/2027.42/69992/2/JCPSA6-82-10-4460-1.pdf | |
dc.identifier.doi | 10.1063/1.448749 | en_US |
dc.identifier.source | The Journal of Chemical Physics | en_US |
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