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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 Growth-Mechanism |
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 |
URI: | https://libjncir.jncasr.ac.in/xmlui/10572/1042 |
Other Identifiers: | 0166-1280 |
Appears in Collections: | Research Papers (Prof. C.N.R. Rao) |
Files in This Item:
File | Description | Size | Format | |
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sl.no39.1996.Journal of Molecular Structure (Theochem) 361 () 211-216.pdf Restricted Access | 458.25 kB | Adobe PDF | View/Open Request a copy |
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