Please use this identifier to cite or link to this item:
http://nopr.niscpr.res.in/handle/123456789/20048| Title: | Nucleophilicity/electrophilicity excess in analyzing molecular electronics |
| Authors: | Roy, D R Subramanian, V Chattaraj, P K |
| Issue Date: | Nov-2006 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | Intramolecular electron transfer capability of all metal aromatic and anti-aromatic aluminum cluster compounds is reported here in terms of density functional theory based global and local reactivity descriptors. Associated intermolecular reactivity pattern among the related molecules of various categories is also studied. A new local reactivity descriptor, nucleo (electro)philicity excess is designed for this purpose. The findings will provide important inputs towards the fabrication of the material required for molecular electronics. |
| Page(s): | 2369-2380 |
| ISSN: | 0975-0975(Online); 0376-4710(Print) |
| Appears in Collections: | IJC-A Vol.45A(11) [November 2006] |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| IJCA 45A(11) 2369-2380.pdf | 2.32 MB | Adobe PDF | View/Open |
Items in NOPR are protected by copyright, with all rights reserved, unless otherwise indicated.