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Title: Vibrational spectral analysis of 1-methoxynaphthalene
Authors: Xavier, R John
Balachandran, V
Arivazhagan, M
Ilango, G
Keywords: FTIR
FT Raman spectrum
Normal coordinate analysis
Potential energy distribution
Issue Date: Apr-2010
Publisher: CSIR
Abstract:  The solid phase FTIR and FT-Raman spectra of 1-methoxynaphthalene (MN) have been recorded in the regions 4000-50 and 3500-100 cm-1, respectively. The spectra have been carried out for the molecule of the title compound using the fundamental modes of vibration observed in infrared and Raman spectroscopy and interpreted with the aid of normal coordinate analysis (NCA). The vibrational modes are classified into A' and A'' irreducible representations and distributed as vib = 41 A' (in-plane) + 19A'' (out-of-plane) based on C­s point group symmetry associated with the structure. A systematic set of symmetry coordinates has been constructed. Wilson’s F-G matrix method has been adopted for the normal coordinate analysis. A reasonable set of potential constants evaluated for this molecule has been compared with those of related molecules and are in the characteristic range. The potential energy distribution (PED) has been evaluated using the vibrational spectral data and molecular parameters. A satisfactory vibrational band assignment has been made by using the FTIR and FT Raman spectra of the compound.
Description: 245-250
ISSN: 0975-1041 (Online); 0019-5596 (Print)
Appears in Collections:IJPAP Vol.48(04) [April 2010]

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