دانلود گزارش کارورزی و کار آموزی

چکیده :

The geometries of eighteen 1,5-benzodiazepines including their oxo and thioxo derivatives have been calculated

and compared with experimental geometries determined by X-ray crystallography using as property

the methylene flip angle. Protonation of 3H-1,5-benzodiazepine lead to a planar quasi-aromatic

cation. For the non-planar structures we have calculated ring inversion barriers that are well correlated

with ten experimental values determined by Dynamic NMR allowing the establishment of an empirical

equation for predicting new values