|
NISCAIR ONLINE PERIODICALS REPOSITORY (NOPR) >
NISCAIR PUBLICATIONS >
Research Journals >
Indian Journal of Pure & Applied Physics (IJPAP) >
IJPAP Vol.50 [2012] >
IJPAP Vol.50(02) [February 2012] >
| 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 |
| CC License: |  CC Attribution-Noncommercial-No Derivative Works 2.5 India |
| ISSN: | 0975-1041 (Online); 0019-5596 (Print) |
| Source: | IJPAP Vol.50(02) [February 2012]
|
|
