Naslov
Enantiomers and Barriers to Racemization of Chiral Heterocyclic Biaryls-Experiment and Theor
(Enantiomers and Barriers to Racemization of Chiral Heterocyclic Biaryls-Experiment and Theory)

Autori
Raos, Nenad ; Mintas, Mladen ; Mannschreck, Albrecht

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Skup
The Fifth International Course and Conference on the Interface Between Mathematics, Chemistry and Computer Science

Mjesto i datum
Dubrovnik, Hrvatska, 25.06.1990. - 30.06.1990

Vrsta sudjelovanja
Poster

Vrsta recenzije
Nije recenziran

Ključne riječi
heterolitički biarili– eksperiment i teorija
(heterolitic biaryls)

Sažetak
Separation of the enantiomers (M) and (P) of sterically hindered N-aryl- 2(lH)-quinolone (l)l and N-aryl-4-pyridones (2)-(4) was achieved by liquid chromatography on triacetylcellulose. The barriers to partial rotation about the C-N bond in (l)-(4) were determined by thermal racemization of enantiomers. In order to find the preferred pathway for interconversion of enantiomers, transition barriers and geometries of the energetically more favourable transition states were estimated using molecular mechanichs method. The calculated energies for restricted rotation about the C-N bond are in reasonable accord with the experimental findings, yielding the same increasing order of enerigies.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA