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Theoretical calculation of optical activity of the nonplanar α,β-unsaturated imines

S. Bystrický, M. Koóš, and M. Repáš

Institute of Chemistry, Slovak Academy of Sciences, 809 33 Bratislava

 

Abstract: The nonplanar structures of a hypothetical mol. of CH2:CHCH:NH, simulating the rigid geometry of the inherently chiral α,β-unsatd. imine chromophore in heterocyclic compds., is examd. The rotational strength of the n → π* and π → π* electronic transitions is directly calcd. by a CNDO/S scheme.

Full paper in Portable Document Format: 355a679.pdf

 

Chemical Papers 35 (5) 679–684 (1981)

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