Molecular orbital studies on the optical activity of chiral nitrosamines and nitramines
作者： Steven Ferber , F.S. Richardson
DOI: 10.1016/0040-4020(77)80222-6
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摘要: Abstract The chiroptical properties of the two lowest energy singlet-singlet transitions in a series N-nitrosopiperidine derivatives are examined on CNDO/S-CI molecular orbital (MO) model which rotatory strengths calculated directly from total electronic wave functions. Similar calculations carried out for three chiral N-nitropiperidine derivatives. results obtained low n→π * these compounds compared to those predicted by sector rules proposed N-nitrosamine and N-nitramine systems.
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