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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Parveen | - |
| dc.contributor.author | Singh, Harjinder | - |
| dc.contributor.author | Venugopalan, P | - |
| dc.contributor.author | Singh, Tej Vir | - |
| dc.date.accessioned | 2013-05-14T06:48:43Z | - |
| dc.date.available | 2013-05-14T06:48:43Z | - |
| dc.date.issued | 2004-02 | - |
| dc.identifier.issn | 0975-0975(Online); 0376-4710(Print) | - |
| dc.identifier.uri | http://hdl.handle.net/123456789/18094 | - |
| dc.description | 233-239 | en_US |
| dc.description.abstract | The role of the metal counter ion in hydride transfer processes like MPV reduction is investigated by ab initio theoretical studies. The feasibility of the hydride shift as a function of the nature of the metal counter ion in the alkoxide is studied at HF/6-31 G** and MP2/6-31G**//HF/6-31G**. The transfer of hydride is facilitated as the Lewis acidity of the metal ion decreases. A range of alkoxides with metal ions of varying Lewis acidity (K+, Na+, Li+, Ca2+, Mg2+, Al3+) is considered. | 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.43A(02) [February 2004] | en_US |
| dc.title | Cation dependence of hydride transfer processes: Quantum chemical approach | en_US |
| dc.type | Article | en_US |
| Appears in Collections: | IJC-A Vol.43A(02) [February 2004] | |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| IJCA 43A(2) 233-239.pdf | 1.65 MB | Adobe PDF | View/Open |
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