Ab initio DFT calculations of the configurational and conformational preferences of 2-phenylsulfinylcyclohexanones, Evidence for

The conformational anal. of 2-phenylsulfinylcyclohexanone by ab initio d. functional calcns. is described. Six conformations corresponding to axial/equatorial isomers and rotation about the exocyclic C2,S bond in each of the RR or RS diastereomers were calcd. and the results were examd. in terms of...

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Journal Title: Canadian Journal of Chemistry Vol. 84; no. 4; pp. 685 - 691
Authors: Walter W. Zajac, Melissa L. Trapp, John F. Wojcik, B. Mario Pinto
Format: Article
Published: 2006
Subjects:
ab
DFT
exo