title: Revisiting NMR through-space J(FF) spin-spin coupling constants for getting insight into proximate F---F interactions.
abstract: At present times it is usual practice to mark biological compounds replacing an H for an F atom to study, by means of (19)F NMR spectroscopy, aspects such as binding sites and molecular folding features. This interesting methodology could nicely be improved if it is known how proximity interactions on the F atom affect its electronic structure as gauged through high-resolution (19)F NMR spectroscopy. This is the main aim of the present work and, to this end, differently substituted peri-difluoronaphthalenes are chosen as model systems. In such compounds are rationalized some interesting aspects of the diamagnetic and paramagnetic parts of the (19)F nuclear magnetic shielding tensor as well as the transmission mechanisms for the PSO and FC contributions to (4)JF1F8 indirect nuclear spin-spin coupling constants.
authors.affiliation: Department of Physics, FCEyN, University of Buenos Aires and IFIBA-CONICET , C1053ABJ Buenos Aires, Argentina.
authors.forename: Rubén H
authors.initials: RH
authors.lastname: Contreras
authors.forename: Tomás
authors.initials: T
authors.lastname: Llorente
authors.forename: Lucas Colucci
authors.initials: LC
authors.lastname: Ducati
authors.forename: Cláudio Francisco
authors.initials: CF
authors.lastname: Tormena