title: Stereodynamics of 1-(methylsulfonyl)-3,5-bis(trifluoromethylsulfonyl)-1,3,5-triazinane: experimental and theoretical analysis.
abstract: Dynamic NMR of 1-(methylsulfonyl)-3,5-bis(trifluoromethylsulfonyl)-1,3,5-triazinane reveals the existence of three conformers and two dynamic processes: ring inversion and rotation about the N-S bond, both processes having DeltaG(++) = 13.5 kcal/mol. An unprecedented large reverse Perlin effect (J(CHax) > J(CHeq)) was found experimentally and calculated theoretically.
authors.affiliation: Irkutsk Institute of Chemistry, Siberian Division of Russian Academy of Sciences, Irkutsk, Russia. bagrat@irioch.irk.ru
authors.forename: Bagrat A
authors.initials: BA
authors.lastname: Shainyan
authors.forename: Igor A
authors.initials: IA
authors.lastname: Ushakov
authors.forename: Andreas
authors.initials: A
authors.lastname: Koch
authors.forename: Erich
authors.initials: E
authors.lastname: Kleinpeter