Please use this identifier to cite or link to this item:
http://nopr.niscpr.res.in/handle/123456789/18094| Title: | Cation dependence of hydride transfer processes: Quantum chemical approach |
| Authors: | Parveen Singh, Harjinder Venugopalan, P Singh, Tej Vir |
| Issue Date: | Feb-2004 |
| Publisher: | NISCAIR-CSIR, India |
| 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. |
| Page(s): | 233-239 |
| ISSN: | 0975-0975(Online); 0376-4710(Print) |
| 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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