Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1045, Issue -, Pages 42-46Publisher
ELSEVIER
DOI: 10.1016/j.molstruc.2013.04.014
Keywords
SERS; Ag-sol; Inosine; Conformation; DFT calculation
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Funding
- University Grants Commission, India [F 41-834/2012(SR)]
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Surface enhanced Raman spectroscopic (SERS) study of biologically important inosine molecules adsorbed in Ag-sol is reported for the first time. Possible adsorption mechanism is discussed. The enhancement is significantly influenced by the concentration of inosine in Ag-sols. The in plane base ring breathing mode appears at 715 cm(-1) in solid phase and is shifted to 724 cm(-1) in aqueous solution. Appearance of this band at 736 cm(-1) in the adsorbed state suggests C(2') endo-anti conformation at concentrations up to 5 x 10(-7) M at which monomolecular layer is formed on the silver surface. However, C(3') endo-syn conformation is suggested at a concentration of 5 x 10(-11) M. Inosine molecule, possibly, interact with the silver nano-particles through C5' atom at higher concentration. The pi system of electrons of the hypoxanthine ring may be involved in the adsorption process at lower concentration. Mono-molecular layer is formed at concentrations of 5 x 10(-7) M and 5 x 10(-11) M indicating perpendicular and parallel adsorption respectively. Density functional calculations are performed for the explanation of the experimental results. (C) 2013 Elsevier B.V. All rights reserved.
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