Abstract
The SER spetrum of glycine has been previously studied by Suh and Moskovits (1). Those authors have discussed the results on the basis of an empirical assignment of the spectrum. Given that aminoacids exhibit strong coupling between normal modes we think that a much more complete assignment of the vibrational spectrum is necessary to interpret SERS results. For this aim force fields have been computed with MNDO hamiltonian and thereafter scaled by using Pulay’s SQM methodology (2). The reliability of the fit has been checked with the experimental Raman and SERS data of the respective deuterated derivatives -ND2 and -ND3.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
References
Suh, J.S. and Moskovits, M.: Surface-enhanced Raman spectroscopy of amino acids and nucleotide bases adsorbed on silver, J. Am. Chem. Soc. 108 (1986), 4711–4718.
Pulay, P., Fogarasi, G. and Boggs, J.E.: Force field, dipole moment derivatives, and vibronic constants of benzene from a combination of experimental and ab initio quantum chemical information, J. Chem. Phys., 74 (1981), 3999–4014..
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1995 Springer Science+Business Media Dordrecht
About this chapter
Cite this chapter
Montañez, M.A., Castro, J.L., Otero, J.C., Marcos, J.I. (1995). SQM Force Field of Glycine: Application to The Analysis of Raman and SERS Spectra. In: Merlin, J.C., Turrell, S., Huvenne, J.P. (eds) Spectroscopy of Biological Molecules. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-0371-8_28
Download citation
DOI: https://doi.org/10.1007/978-94-011-0371-8_28
Publisher Name: Springer, Dordrecht
Print ISBN: 978-94-010-4166-9
Online ISBN: 978-94-011-0371-8
eBook Packages: Springer Book Archive