dc.contributor.author |
Sen, Rahul
|
|
dc.contributor.author |
Sumathy, R
|
|
dc.contributor.author |
Rao, C N R
|
|
dc.date.accessioned |
2012-11-21T11:09:40Z |
|
dc.date.available |
2012-11-21T11:09:40Z |
|
dc.date.issued |
1996 |
|
dc.identifier |
0166-1280 |
en_US |
dc.identifier.citation |
Theochem - Journal of Molecular Structure 361(1-3), 211-216 (1996) |
en_US |
dc.identifier.uri |
https://libjncir.jncasr.ac.in/xmlui/10572/1042 |
|
dc.description |
Restricted Access |
en_US |
dc.description.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. |
en_US |
dc.description.uri |
http://dx.doi.org/10.1016/0166-1280(95)04320-9 |
en_US |
dc.language.iso |
en |
en_US |
dc.publisher |
Elsevier Science BV |
en_US |
dc.rights |
© 1996 Elsevier Science BV |
en_US |
dc.subject |
Vapor-Deposited Diamond |
en_US |
dc.subject |
Growth-Mechanism |
en_US |
dc.title |
An investigation of the hydrogenation of aromatic hydrocarbons to yield saturated cycloalkanes: relevance to graphite-diamond transformation |
en_US |
dc.type |
Article |
en_US |