1hJFH coupling in 2-fluorophenol revisited: Is intramolecular hydrogen bond responsible for this long-range coupling?

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The present study shows that a hydrogen bond between the OH group and the fluorine atom is not involved in the 1hJFH spin-spin coupling transmission either for 4-bromo-2-fluorophenol or 2-fluorophenol. In fact, according to a quantum theory of atoms in molecules analysis, no bond critical point is f...

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Detalles Bibliográficos
Autores principales: Cormanich, R.A., Moreira, M.A., Freitas, M.P., Ramalho, T.C., Anconi, C.P.A., Rittner, R., Contreras, R.H., Tormena, C.F.
Formato: JOUR
Materias:
2-fluorophenol
coupling constant
FCCP-CMO
intramolecular H-bonding
QTAIM
2 fluorophenol
acetonitrile
acetonitrile derivative
cyclohexane
cyclohexane derivative
phenol derivative
article
chemical structure
chemistry
electron
hydrogen bond
methodology
nuclear magnetic resonance spectroscopy
physical chemistry
quantum theory
thermodynamics
Acetonitriles
Chemistry, Physical
Cyclohexanes
Electrons
Hydrogen Bonding
Magnetic Resonance Spectroscopy
Models, Molecular
Phenols
Quantum Theory
Thermodynamics
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_07491581_v49_n12_p763_Cormanich
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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