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Fluorine nuclear spin coupling constants in fluoro-substituted furans
- Source :
- Chemical Physics Letters. 37:132-134
- Publication Year :
- 1976
- Publisher :
- Elsevier BV, 1976.
-
Abstract
- In order to assist experimental assignments in olefinic and aromatic fluorine compounds, fluorine nuclear coupling constants have been obtained from the first-order self-consistent perturbation theory equation with the INDO molecular orbital approximation in a series of fluoro-substituted furans. There is a clear distinction between the magnitudes and signs for the four fluorine coupling positions; the importance of the orbital and spin-dipolar contributions is very clear. Tentative signs are suggested for all the coupling constants.
- Subjects :
- Coupling constant
Coupling
Chemistry
Computational chemistry
Physics::Atomic and Molecular Clusters
Fluorine
General Physics and Astronomy
chemistry.chemical_element
Molecular orbital
Physics::Chemical Physics
Physical and Theoretical Chemistry
Perturbation theory
Astrophysics::Galaxy Astrophysics
Subjects
Details
- ISSN :
- 00092614
- Volume :
- 37
- Database :
- OpenAIRE
- Journal :
- Chemical Physics Letters
- Accession number :
- edsair.doi...........ce194c1de0a235b7e4d70f11be807135
- Full Text :
- https://doi.org/10.1016/0009-2614(76)80177-7