Limited double bond isomerisation and selective hydrogenation of sterenes during early diagenesis

Details Limited double bond isomerisation and selective hydrogenation of sterenes during early diagenesis Limited double bond isomerisation and selective hydrogenation of sterenes during early diagenesis

Apr 1989

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1989gecoa..53..903d&link_type=abstract

Geochimica et Cosmochimica Acta, vol. 53, Issue 4, pp.903-909

Physics

2

Scientific paper

Relative differences in free energy of 32 cholestene isomers have been calculated by molecular mechanics using the MM2 empirical force field with adjusted increments for sp 2 hybridised carbon atoms. Based on the results and on a reinspection of the literature it has been concluded that some steps in the previously proposed early diagenetic pathways of steroid diagenesis have to be reconsidered; double bond isomerizations via secondary carbocations are not considered likely to occur in nature. To explain in an alternative way the sterene/sterane distribution patterns observed in Recent sediments a limited isomerization ( via tertiary carbocations only) occurring simultaneously with a selective reduction is proposed.

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