Transmission mechanisms of NMR long-range J(13C,19F) scalar couplings in 1-F,4-X-cubanes: A DFT and experimental study

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In order to get insight into transmission mechanisms of the title spin-spin coupling constants, nJ(C, F<inf>1</inf>) couplings (n=4, 5) were calculated at the DFT-B3LYP-6-311-G/EPR-III level, and 5J(Cα, F<inf>1</inf>) couplings were measured in 9 members of the series 1-F,4-X...

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Detalles Bibliográficos
Autores principales:	Contreras, R.H., ESTEBANz, Á.L., Díez, E., Head, N.J., Della, E.W.
Formato:	JOUR
Materias:	Atoms Couplings Coupling constants Halogen atoms Hyperconjugative interactions Scalar coupling Spin-spin coupling constants Substituent effect Three-fold symmetry Transmission mechanisms Fluorine
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_00268976_v104_n4_p485_Contreras
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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