NMR J(13C,13C) spin-spin coupling constants in pyridine-carboxaldehydes. Experimental and DFT-B3LYP studies

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J(13C,13C) spin-spin couplings were measured at natural abundance in five pyridine aldehyde derivatives. Such couplings were also calculated at the DFT-B3LYP-6-311G**/EPR-III level of theory where special attention was paid to their possible stereospecific behaviors. Dielectric solvent effects were...

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Detalles Bibliográficos
Autores principales:	Taurian, O.E., De Kowalewski, D.G., Pérez, J.E., Contreras, R.H.
Formato:	JOUR
Materias:	Conjugative interactions Geminal couplings Negative hyperconjugative interactions Scalar couplings Stereospecificity Aldehydes Carbon monoxide Conformations Continuum mechanics Antibonding orbitals Pyridine aldehydes Molecular structure
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_00222860_v754_n1-3_p1_Taurian
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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