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Direct visual evidence of end-on adsorption geometry of pyridine on silver surface investigated by surface enhanced Raman scattering and density functional theory calculations

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Title Direct visual evidence of end-on adsorption geometry of pyridine on silver surface investigated by surface enhanced Raman scattering and density functional theory calculations
 
Creator BHUNIA, S
FORSTER, S
VYAS, N
SCHMITT, HC
OJHA, AK
 
Subject EFFECTIVE CORE POTENTIALS
MOLECULAR CALCULATIONS
CHEMICAL MECHANISM
SELECTION-RULES
CHARGE-TRANSFER
SPECTROSCOPY
ADENINE
SERS
AG
COMPLEXES
SERS
Pyridine
DFT
AgNPs
 
Description Fourier transform Raman (FT-Raman) spectra of neat pyridine (Py) and surface enhanced Raman scattering (SERS) spectra of Py with silver nanoparticles (AgNPs) solution at different molar concentrations (X = 1.5 M, 1.0 M, 0.50 M, 0.25 M, and 0.125 M) were recorded using 1064 nm excitation wavelength. The intensity of Raman bands at similar to 1003 (nu(11)) and similar to 1035 (nu(21)) cm(-1) of Py is enhanced in the SERS spectra. Two new Raman bands were observed at similar to 1009 (nu(12)) and similar to 1038 (nu(22)) cm(-1) in the SERS spectra. These bands correspond to the ring breathing vibrations of Py molecules adsorbed at the AgNPs surface. The value of intensity ratios (I-12/I-11) and (I-21/I-22) is increased with dilution and attains a maximum value at X = 0.5 M and upon further dilution (0.25 and 0.125 M) it drops gradually. The theoretically calculated Raman spectra were found to be in good agreement with experimentally observed Raman spectra. Both, experimental and theoretical investigations have confirmed that the Py interacts with AgNPs via the end-on geometry. (C) 2015 Elsevier B.V. All rights reserved.
 
Publisher PERGAMON-ELSEVIER SCIENCE LTD
 
Date 2016-01-15T05:06:57Z
2016-01-15T05:06:57Z
2015
 
Type Article
 
Identifier SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 151,888-894
1386-1425
http://dx.doi.org/10.1016/j.saa.2015.07.019
http://dspace.library.iitb.ac.in/jspui/handle/100/17833
 
Language en