Journal
RUSSIAN JOURNAL OF ORGANIC CHEMISTRY
Volume 46, Issue 1, Pages 117-121Publisher
MAIK NAUKA/INTERPERIODICA/SPRINGER
DOI: 10.1134/S1070428010010112
Keywords
-
Categories
Ask authors/readers for more resources
Nonempirical RHF/STO-3G and 6-31G(d) studies on conformational behavior of tetrahydro-1,3- oxazine showed that interconversion between the axial (global minimum) and equatorial chair conformers can follow five independent pathways. The potential energy surface contains seven minima corresponding to chair and twist conformers, as well as seven transition states having sofa, half-chair, and symmetrical and unsym- metrical boat conformations. Additional potential barriers to interconversion, resulting from pyramidal inversion of the nitrogen atom, were also revealed.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available