Microwave spectra for the three C-13(1) isotopologues of propene and new rotational constants for propene and its C-13(1) isotopologues

Title:
Microwave spectra for the three C-13(1) isotopologues of propene and new rotational constants for propene and its C-13(1) isotopologues
Authors:
Craig, Norman C.; Groner, Peter; Conrad, Andrew R.; Gurusinghe, Ranil; Tubergen, Michael J.
Abstract:
New measurements of microwave lines (A and E) of propene and its three C-13(1) isotopologues have been made in the 10-22 GHz region with Fr accuracy. The revised lines for propene along with many hundreds from the literature were fitted with the ERHAM program for internal rotors to give improved rotational constants. The new constants are A(0) = 46280.2904(16), B-0 = 9305.24260(30), and C-0 = 8134.22685(28) MHz. Lines for the 3-C-13(1) species were observed in a pure sample; lines for the 1-C-13(1) and 2-C-13(1) species were observed in natural abundance. In fitting the limited sets of lines for the C-13(1) species, many of the centrifugal distortion constants and most of the tunneling parameters were transferred from the fit of propene itself with 27 parameters. Improved rotational constants for the C-13(1) species are reported. (C) 2016 Elsevier Inc. All rights reserved.
Citation:
Craig, N.C., P. Groner, A.R. Conrad, R. Gurusinghe, and M.J. Tubergen. 2016. "Microwave spectra for the three C-13(1) isotopologues of propene and new rotational constants for propene and its C-13(1) isotopologues." Journal of Molecular Spectroscopy 328: 1-6.
Publisher:
Elsevier
DATE ISSUED:
2016-10
Department:
Chemistry and Biochemistry
Type:
Article
PUBLISHED VERSION:
10.1016/j.jms.2016.07.002
PERMANENT LINK:
http://hdl.handle.net/11282/620185

Full metadata record

DC FieldValue Language
dc.contributor.authorCraig, Norman C.en
dc.contributor.authorGroner, Peteren
dc.contributor.authorConrad, Andrew R.en
dc.contributor.authorGurusinghe, Ranilen
dc.contributor.authorTubergen, Michael J.en
dc.date.accessioned2016-10-27T13:59:15Z-
dc.date.available2016-10-27T13:59:15Z-
dc.date.issued2016-10-
dc.identifier.citationCraig, N.C., P. Groner, A.R. Conrad, R. Gurusinghe, and M.J. Tubergen. 2016. "Microwave spectra for the three C-13(1) isotopologues of propene and new rotational constants for propene and its C-13(1) isotopologues." Journal of Molecular Spectroscopy 328: 1-6.en
dc.identifier.issn0022-2852-
dc.identifier.urihttp://hdl.handle.net/11282/620185-
dc.description.abstractNew measurements of microwave lines (A and E) of propene and its three C-13(1) isotopologues have been made in the 10-22 GHz region with Fr accuracy. The revised lines for propene along with many hundreds from the literature were fitted with the ERHAM program for internal rotors to give improved rotational constants. The new constants are A(0) = 46280.2904(16), B-0 = 9305.24260(30), and C-0 = 8134.22685(28) MHz. Lines for the 3-C-13(1) species were observed in a pure sample; lines for the 1-C-13(1) and 2-C-13(1) species were observed in natural abundance. In fitting the limited sets of lines for the C-13(1) species, many of the centrifugal distortion constants and most of the tunneling parameters were transferred from the fit of propene itself with 27 parameters. Improved rotational constants for the C-13(1) species are reported. (C) 2016 Elsevier Inc. All rights reserved.en
dc.language.isoen_USen
dc.publisherElsevieren
dc.identifier.doi10.1016/j.jms.2016.07.002-
dc.subject.departmentChemistry and Biochemistryen_US
dc.titleMicrowave spectra for the three C-13(1) isotopologues of propene and new rotational constants for propene and its C-13(1) isotopologuesen_US
dc.typeArticleen
dc.identifier.journalJournal of Molecular Spectroscopyen
dc.subject.keywordPropeneen_US
dc.subject.keywordC-13 isotopologues of propeneen_US
dc.subject.keywordMicrowave spectraen_US
dc.subject.keywordRotational constantsen_US
dc.subject.keywordApplication of ERHAM for internal rotorsen_US
dc.identifier.volume328en_US
dc.identifier.startpage1en_US
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