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Title: An investigation of the hydrogenation of aromatic hydrocarbons to yield saturated cycloalkanes: relevance to graphite-diamond transformation
Authors: Sen, Rahul
Sumathy, R
Rao, C N R
Keywords: Vapor-Deposited Diamond
Issue Date: 1996
Publisher: Elsevier Science BV
Citation: Theochem - Journal of Molecular Structure 361(1-3), 211-216 (1996)
Abstract: Step-wise hydrogenation of benzene, naphthalene and pyrene to yield the corresponding saturated derivatives has been examined at the AM1/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 CH3. and C2H. 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.
Description: Restricted Access
Other Identifiers: 0166-1280
Appears in Collections:Research Papers (Prof. C.N.R. Rao)

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