An investigation of the hydrogenation of aromatic hydrocarbons to yield saturated cycloalkanes: relevance to graphite-diamond transformation

Sen, Rahul and Sumathy, R and Rao, CNR (1996) An investigation of the hydrogenation of aromatic hydrocarbons to yield saturated cycloalkanes: relevance to graphite-diamond transformation. In: Journal of Molecular Structure: THEOCHEM, 361 (1-3). pp. 211-216.

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Abstract

Step-wise hydrogenation of benzene, naphthalene and pyrene to yield the corresponding saturated derivatives has been examined at the AMl/RHF level in order to understand the graphite-diamond conversion in a hydrogen plasma. Hydrogenation of these aromatics proceeds readily with a negligible activation barrier, suggesting that saturation of a graphite surface by interaction with hydrogen atoms is likely to be very facile. Addition of $CH_3^.$ and $C_2H^.$ radicals to a partially saturated hydrocarbon is shown to yield adamantane, which can act as the nucleation site for diamond growth, a situation that also obtains with partially hydrogenated graphite.

Item Type:	Journal Article
Publication:	Journal of Molecular Structure: THEOCHEM
Publisher:	Elsevier
Additional Information:	Copyright of this article belongs to Elsevier.
Department/Centre:	Division of Chemical Sciences > Materials Research Centre Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	01 Jul 2008
Last Modified:	19 Sep 2010 04:37
URI:	http://eprints.iisc.ac.in/id/eprint/10735

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