Microwave spectra of eight isotopic modifications of 1-chloro-1-fluoroethylene

Title:
Microwave spectra of eight isotopic modifications of 1-chloro-1-fluoroethylene
Authors:
Leung, Helen O.; Marshall, Mark D.; Vasta, Andrew L.; Craig, Norman C.
Abstract:
The rotational spectra of eight isotopomers of 1-chloro-1-fluoroethylene in the 6–22 GHz region have been collected and analyzed. Each rotational transition is split into hyperfine components by the chlorine (either 35Cl or 37Cl) nuclear quadrupole coupling interaction and additionally, one or more smaller interactions such as the spin–rotation interaction due to the fluorine atom, hydrogen–hydrogen spin–spin coupling interactions, and in appropriately substituted species, the deuterium nuclear quadrupole hyperfine interaction. The rotational constants derived from these isotopomers allow the determination of average and Kraitchman substitution structures for 1-chloro-1-fluoroethylene, whereas the availability of the diagonal chlorine nuclear quadrupole coupling constants for all the isotopomers provides complete quadrupole coupling tensors for both 35Cl and 37Cl. In the course of this work, the rotational spectrum of an excited vibrational state of the normal isotopomer was observed, which ab initio   calculations suggest should be assigned to ν9=1ν9=1, an in-plane bending motion at the CFCl end of the molecule.
Citation:
Leung, Helen O., Mark D. Marshall, Andrew L. Vasta, and Norman C. Craig. 2008. "Microwave spectra of eight isotopic modifications of 1-chloro-1-fluoroethylene." Journal of Molecular Spectroscopy 253(2): 116-121.
Publisher:
Elsevier
DATE ISSUED:
2009
Department:
Chemistry
Type:
Article
PUBLISHED VERSION:
10.1016/j.jms.2008.11.002
PERMANENT LINK:
http://hdl.handle.net/11282/334053

Full metadata record

DC FieldValue Language
dc.contributor.authorLeung, Helen O.en
dc.contributor.authorMarshall, Mark D.en
dc.contributor.authorVasta, Andrew L.en
dc.contributor.authorCraig, Norman C.en
dc.date.accessioned2014-11-10T14:13:07Zen
dc.date.available2014-11-10T14:13:07Zen
dc.date.issued2009en
dc.identifier.citationLeung, Helen O., Mark D. Marshall, Andrew L. Vasta, and Norman C. Craig. 2008. "Microwave spectra of eight isotopic modifications of 1-chloro-1-fluoroethylene." Journal of Molecular Spectroscopy 253(2): 116-121.en
dc.identifier.issn0022-2852en
dc.identifier.urihttp://hdl.handle.net/11282/334053en
dc.description.abstractThe rotational spectra of eight isotopomers of 1-chloro-1-fluoroethylene in the 6–22 GHz region have been collected and analyzed. Each rotational transition is split into hyperfine components by the chlorine (either 35Cl or 37Cl) nuclear quadrupole coupling interaction and additionally, one or more smaller interactions such as the spin–rotation interaction due to the fluorine atom, hydrogen–hydrogen spin–spin coupling interactions, and in appropriately substituted species, the deuterium nuclear quadrupole hyperfine interaction. The rotational constants derived from these isotopomers allow the determination of average and Kraitchman substitution structures for 1-chloro-1-fluoroethylene, whereas the availability of the diagonal chlorine nuclear quadrupole coupling constants for all the isotopomers provides complete quadrupole coupling tensors for both 35Cl and 37Cl. In the course of this work, the rotational spectrum of an excited vibrational state of the normal isotopomer was observed, which ab initio   calculations suggest should be assigned to ν9=1ν9=1, an in-plane bending motion at the CFCl end of the molecule.en
dc.language.isoen_USen
dc.publisherElsevieren
dc.identifier.doi10.1016/j.jms.2008.11.002en
dc.subject.departmentChemistryen
dc.titleMicrowave spectra of eight isotopic modifications of 1-chloro-1-fluoroethyleneen
dc.typeArticleen
dc.identifier.journalJournal of Molecular Spectroscopyen
dc.subject.keyword1-chloro-1-fluoroethyleneen
dc.subject.keywordMicrowave spectrumen
dc.subject.keywordRotational spectrumen
dc.subject.keywordMolecular structureen
dc.subject.keywordNuclear quadrupole coupling tensoen
dc.identifier.volume253en
dc.identifier.issue2en
dc.identifier.startpage116en
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