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http://nopr.niscpr.res.in/handle/123456789/43935Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Malar, E J Padma | - |
| dc.date.accessioned | 2018-03-20T09:10:44Z | - |
| dc.date.available | 2018-03-20T09:10:44Z | - |
| dc.date.issued | 1993-07 | - |
| dc.identifier.issn | 0975-0975(Online); 0376-4710(Print) | - |
| dc.identifier.uri | http://nopr.niscair.res.in/handle/123456789/43935 | - |
| dc.description | 557-560 | en_US |
| dc.description.abstract | The potential profile for the hydrogen abstraction reaction from silane by methyl radical is computed quantum chemically. The all-valence electrons semiempirical SCF MO methods SINDOI and MNDO predict comparable activation barriers of 68.5 and 75.2 kJ mol-1 respectively. The lower activation barrier of the title reaction as compared to that of the thermoneutral reaction CH3 + CH4 → CH4 + CH3 reflects the greater ease of abstracting a hydrogen atom from silane than that from methane. This is in agreement with the lower bond dissociation energy in silane (377.5 kJ mol-1) than that in methane (431.4 kJ mol-1). | en_US |
| dc.language.iso | en_US | en_US |
| dc.publisher | NISCAIR-CSIR, India | en_US |
| dc.rights |  CC Attribution-Noncommercial-No Derivative Works 2.5 India | en_US |
| dc.source | IJC-A Vol.32A(07) [July 1993] | en_US |
| dc.title | A quantum chemical study of hydrogen abstraction from silane by methyl radical | en_US |
| dc.type | Article | en_US |
| Appears in Collections: | IJC-A Vol.32A(07) [July 1993] | |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| IJCA 32A(7) 557-560.pdf | 289.51 kB | Adobe PDF | View/Open |
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