Please use this identifier to cite or link to this item:
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 SizeFormat 
IJPAP 50(2) 91-99.pdf145.08 kBAdobe PDFView/Open

Items in NOPR are protected by copyright, with all rights reserved, unless otherwise indicated.