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Anto, P. L. and Ruby, John Anto (2010) Vibrational spectroscopic studies and ab initio calculations of phenyl phosphate disodium salt. Journal of Raman Spectroscopy, 41 (1). pp. 113-119. ISSN 1097-4555

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The Fourier‐transform infrared and Fourier‐tranform Raman spectra of phenyl phosphate disodium salt were recorded and analyzed. The surface‐enhanced Raman scattering (SERS) spectrum was recorded in a silver colloid. The vibrational wavenumbers of the compound were computed using the Hartree–Fock/6‐31G* basis and compared with the experimental values. The molecule is adsorbed on the silver surface with the benzene ring in a tilted orientation. The presence of the phenyl ring and the phosphate group vibrations in the SERS spectrum reveal the interactions between the phenyl ring and the phosphate group with the silver surface. The first hyperpolarizability is calculated, and the calculated molecular geometry is compared with those of similar reported structures. Copyright © 2009 John Wiley & Sons, Ltd.

Item Type: Article
Uncontrolled Keywords: FT-IR spectra; FT-Raman spectra; SERS; phenyl phosphate disodium salt; Hartree–Fock ab initio calculations
Subjects: Cancer Research
Depositing User: Central Library RGCB
Date Deposited: 28 May 2019 10:57
Last Modified: 28 May 2019 10:57
URI: http://rgcb.sciencecentral.in/id/eprint/771

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