Please use this identifier to cite or link to this item:
http://nopr.niscpr.res.in/handle/123456789/13464| Title: | Scaled quantum mechanical study of 2-acetylfluorene |
| Authors: | Anbarasu, P Arivazhagan, M Balachandran, V |
| Keywords: | FTIR;FT-Raman Spectra;2-acetyl Fluorene(2AF);Density Functional Theory;Total Energy Distribution |
| Issue Date: | Feb-2012 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | The FTIR and FT-Raman spectra of 2-acetylfluorene have been measured in the range 4000-50 cm-1 and 3500-50 cm-1, respectively. Utilising the observed FTIR and FT-Raman data, complete vibrational assignment and analysis of the fundamental modes of the compound have been carried out by employing the B3LYP/6-311++G(d,p) method for optimized geometries. The Total Energy Distribution (TED) values obtained reflect the correctness of the vibrational assignments. |
| Page(s): | 91-99 |
| ISSN: | 0975-1041 (Online); 0019-5596 (Print) |
| Appears in Collections: | IJPAP Vol.50(02) [February 2012] |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| IJPAP 50(2) 91-99.pdf | 145.08 kB | Adobe PDF | View/Open |
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