title: Stereodynamics of bond rotation in tertiary 1-naphthoic acid amides: a computational study.
abstract: Computations sho that independent N-CO rotation is not possible in N,N-diethyl-1-naphthamide, and that the coalescence signal corresponding to methyl equivalence observed in the VT NMR spectrum of this system is caused by a complex process whose rate-determining step implies concerted N-CO, Ar-CO, and ethyl rotations. The calculated Gibbs energy barriers for these processes in solution are in good agreement with the experimental values.
authors.affiliation: Departamento de Química Física y Analítica, Facultad de Química, Universidad de Oviedo, C/Julián Clavería 8, 33006 Oviedo, Principado de Asturias, Spain.
authors.forename: Pablo
authors.initials: P
authors.lastname: Campomanes
authors.forename: M Isabel
authors.initials: MI
authors.lastname: Menéndez
authors.forename: Ramón
authors.initials: R
authors.lastname: López
authors.forename: Tomás L
authors.initials: TL
authors.lastname: Sordo