Szabo, Miklos; Szilagyi, Robert; Bencze, Lajos; Boese, Roland; Zucchi, Claudia; Caglioti, Luciano; Palyi, Gyula:

Diastereoselection through chiral conformations.

In: Enantiomer (Enantiomer), Jg. 5 (2000) ; Nr. 6, S. 549-559
ISSN: 1024-2430
Zeitschriftenaufsatz / Fach: Chemie
Chiral conformations of flexible mols. may develop in a concerted manner if the mol. is crowded enough to assure sufficient level of through-space contacts. Higher no. (>4) of groups connected to the same atom, as in many coordination compds., can be advantageous in this respect. The case study of [((R,S)-sBuO2CCH2)Co(CO)3(PPh3)] is presented here. X-ray diffraction shows that the possible no. of enantiomeric and diastereomeric conformations is reduced by 75% (from 8 to 2) by concerted development of the mol. conformations in cryst. phase. The complex was also studied by PM3 and d.-functional (B3LYP) methods.