title: The role of induced current density in Steroelectronic effects: Perlin effect.
abstract: The normal and reverse Perlin effect is usually explained by the redistribution of electron density produced by hyperconjugative mechanisms, which increases the electron population within axial or equatorial proton in normal or reverse effect, respectively. Here an alternative explanation for the Perlin effect is presented on the basis of the topology of the induced current density, which directly determines the nuclear magnetic shielding. Current densities around the C-H bond critical point and intra-atomic and interatomic contributions to the magnetic shielding explain the observed Perlin effect. The balance between intra-atomic and interatomic contributions determines the difference in the total atomic shielding. Normal Perlin effect is dominated by intra-atomic part, whereas reverse effect is dominated by interatomic contribution.
authors.affiliation: Instituto de Química, Universidad Nacional Autónoma de México, Circuito exterior, Ciudad Universitaria, Coyoacán, México, D.F., México, 04510.
authors.forename: Joseelyne G
authors.initials: JG
authors.lastname: Hernández-Lima
authors.affiliation: Instituto de Química, Universidad Nacional Autónoma de México, Circuito exterior, Ciudad Universitaria, Coyoacán, México, D.F., México, 04510.
authors.forename: Jose E
authors.initials: JE
authors.lastname: Barquera-Lozada
authors.affiliation: Instituto de Química, Universidad Nacional Autónoma de México, Circuito exterior, Ciudad Universitaria, Coyoacán, México, D.F., México, 04510.
authors.forename: Gabriel
authors.initials: G
authors.lastname: Cuevas
authors.affiliation: Instituto de Química, Universidad Nacional Autónoma de México, Circuito exterior, Ciudad Universitaria, Coyoacán, México, D.F., México, 04510.
authors.forename: Fernando
authors.initials: F
authors.lastname: Cortés-Guzmán
keywords: Perlin effect; current density; nuclear magnetic shielding; quantum chemical topology; stereoelectronic effect