title: Conformational dynamics in nitrogen-fused azabicycles.
abstract: Using molecular mechanics (MM3 force field)-based methodology, conformational dynamics have been studied for 1-azabicyclo[2.2.0]hexane, 1-azabicylo[3.3.0]octane, and 1-azabicylo[4.4.0]decane. Obtained conformational schemes describe the flexibity of these parent azabicyles as well as permit us to estimate conformational mobility in related N-fused systems. Quantum mechanics ab initio calculations have been used in order to check the reliability of molecular mechanics-provided estimates of relative energy of conformers. The previous dynamic NMR (DNMR) data have been reinterpreted for some polycyclic alkaloids.
authors.affiliation: Chemistry Department, Bar-Ilan University, Ramat-Gan 52900, Israel. belostot@mail.biu.ac.il
authors.forename: Anatoly M
authors.initials: AM
authors.lastname: Belostotskii
authors.forename: Elena
authors.initials: E
authors.lastname: Markevich