Deuterium- induced 19F Isotope Shifts in Fluoroethenes

Title:
Deuterium- induced 19F Isotope Shifts in Fluoroethenes
Authors:
Osten, H. Jörg; Jameson, Cynthia J.; Craig, Norman C.
Abstract:
Deuterium‐induced 1 9F isotope shifts in the NMR spectra of 17 fluoroethenes are reported here together with other NMR parameters (1H and 1 9F chemical shifts and FF, HF, DF, and DH coupling constants). The two‐bond (g e m) and three‐bond (t r a n s) isotope shifts exhibit correlations with nuclear spin–spin coupling constants 2 J g e m (HF) and 3 J t r a n s (HF). The isotope shifts are interpreted using derivatives of nuclear shielding with respect to bond extension derived from the 1 9F temperature dependence at the zero‐pressure limit, and the changes in the mean bond lengths due to isotopic substitution. The latter are calculated using the previously reported Urey–Bradley force fields for these molecules. The analysis of the isotope shifts lead to estimates of the change of 1 9F nuclear shielding due to extension of a bond which is located at a g e m, c i s, or t r a n s position relative to the resonant nucleus. These 1 9F nuclear shielding derivatives correlate with the nuclear spin–spin coupling constants 2 J g e m (HF) , 3 J c i s (HF), and 3 J t r a n s (HF) which share the same pathway of electronic transmission.
Citation:
Osten, H. J., Cynthia J. Jameson, and Norman C. Craig. 1985. "Deuterium- induced 19F Isotope Shifts in Fluoroethenes." The Journal of Chemical Physics 83(11): 5434-5441.
Publisher:
American Institute of Physics (AIP)
DATE ISSUED:
1985
Department:
Chemistry
Type:
Article
PUBLISHED VERSION:
10.1063/1.449713
PERMANENT LINK:
http://hdl.handle.net/11282/334017

Full metadata record

DC FieldValue Language
dc.contributor.authorOsten, H. Jörgen
dc.contributor.authorJameson, Cynthia J.en
dc.contributor.authorCraig, Norman C.en
dc.date.accessioned2014-11-10T14:12:33Z-
dc.date.available2014-11-10T14:12:33Z-
dc.date.issued1985en
dc.identifier.citationOsten, H. J., Cynthia J. Jameson, and Norman C. Craig. 1985. "Deuterium- induced 19F Isotope Shifts in Fluoroethenes." The Journal of Chemical Physics 83(11): 5434-5441.en
dc.identifier.issn0021-9606en
dc.identifier.urihttp://hdl.handle.net/11282/334017-
dc.description.abstractDeuterium‐induced 1 9F isotope shifts in the NMR spectra of 17 fluoroethenes are reported here together with other NMR parameters (1H and 1 9F chemical shifts and FF, HF, DF, and DH coupling constants). The two‐bond (g e m) and three‐bond (t r a n s) isotope shifts exhibit correlations with nuclear spin–spin coupling constants 2 J g e m (HF) and 3 J t r a n s (HF). The isotope shifts are interpreted using derivatives of nuclear shielding with respect to bond extension derived from the 1 9F temperature dependence at the zero‐pressure limit, and the changes in the mean bond lengths due to isotopic substitution. The latter are calculated using the previously reported Urey–Bradley force fields for these molecules. The analysis of the isotope shifts lead to estimates of the change of 1 9F nuclear shielding due to extension of a bond which is located at a g e m, c i s, or t r a n s position relative to the resonant nucleus. These 1 9F nuclear shielding derivatives correlate with the nuclear spin–spin coupling constants 2 J g e m (HF) , 3 J c i s (HF), and 3 J t r a n s (HF) which share the same pathway of electronic transmission.en
dc.language.isoen_USen
dc.publisherAmerican Institute of Physics (AIP)en
dc.identifier.doi10.1063/1.449713en
dc.subject.departmentChemistryen
dc.titleDeuterium- induced 19F Isotope Shifts in Fluoroethenesen
dc.typeArticleen
dc.identifier.journalJournal of Chemical Physicsen
dc.subject.keywordIsotope shiftsen
dc.subject.keywordChemical bondsen
dc.subject.keywordNuclear magnetic resonanceen
dc.subject.keywordChemical shiftsen
dc.subject.keywordNuclear resonance reactionsen
dc.identifier.volume83en
dc.identifier.issue11en
dc.identifier.startpage5434en
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