A modified silver colloid allowed obtains to the best of our knowledge, the first surface enhanced Raman scattering spectrum of the gallic acid in aqueous solution at controlled neutral pH. The molecular electrostatic potential surface plot analysis allowed identifies the electrophilic attacking sites of the gallate anion. A combined charge transfer and electromagnetic mechanism of the Raman enhancement was inferred from the frontier high-low occupied molecular orbitals gap energy. Surface enhanced Raman scattering selection rules and theoretical calculations allowed propose that the gallic acid anion at pH 7 is oriented perpendicular to the surface with the carboxylate fragment driving the interaction.
%0 Journal Article
%1 garrido2017surface
%A Garrido, C.
%A Diaz-Fleming, G.
%A Carcamo, J.J.
%A Campos-Vallette, M.M.
%D 2017
%I 2017 Elsevier B.V.
%J Vibrational Spectroscopy
%K acid, and anion, calculation, dqcauchile ellagic gallate gallic raman sers spectra, spectroscopy theoretical
%P 12-16
%R 10.1016/j.vibspec.2017.09.001
%T Surface Enhanced Raman Scattering and Theoretical Characterization of the Gallic Acid Anion Silver Surface Interaction
%U /brokenurl#<Go to ISI>://WOS:000418986800002
%V 93
%X A modified silver colloid allowed obtains to the best of our knowledge, the first surface enhanced Raman scattering spectrum of the gallic acid in aqueous solution at controlled neutral pH. The molecular electrostatic potential surface plot analysis allowed identifies the electrophilic attacking sites of the gallate anion. A combined charge transfer and electromagnetic mechanism of the Raman enhancement was inferred from the frontier high-low occupied molecular orbitals gap energy. Surface enhanced Raman scattering selection rules and theoretical calculations allowed propose that the gallic acid anion at pH 7 is oriented perpendicular to the surface with the carboxylate fragment driving the interaction.
@article{garrido2017surface,
abstract = {A modified silver colloid allowed obtains to the best of our knowledge, the first surface enhanced Raman scattering spectrum of the gallic acid in aqueous solution at controlled neutral pH. The molecular electrostatic potential surface plot analysis allowed identifies the electrophilic attacking sites of the gallate anion. A combined charge transfer and electromagnetic mechanism of the Raman enhancement was inferred from the frontier high-low occupied molecular orbitals gap energy. Surface enhanced Raman scattering selection rules and theoretical calculations allowed propose that the gallic acid anion at pH 7 is oriented perpendicular to the surface with the carboxylate fragment driving the interaction. },
added-at = {2019-12-04T03:57:35.000+0100},
author = {Garrido, C. and Diaz-Fleming, G. and Carcamo, J.J. and Campos-Vallette, M.M.},
biburl = {https://www.bibsonomy.org/bibtex/2bf838a0456781d67ebfd49b85cb622d3/dqcauchile},
doi = {10.1016/j.vibspec.2017.09.001},
interhash = {261d8c5cbab2cabf4b6ce32e73062a84},
intrahash = {bf838a0456781d67ebfd49b85cb622d3},
issn = {0924-2031},
journal = {Vibrational Spectroscopy},
keywords = {acid, and anion, calculation, dqcauchile ellagic gallate gallic raman sers spectra, spectroscopy theoretical},
pages = {12-16},
publisher = {2017 Elsevier B.V.},
timestamp = {2019-12-04T04:29:21.000+0100},
title = {Surface Enhanced Raman Scattering and Theoretical Characterization of the Gallic Acid Anion Silver Surface Interaction},
type = {Journal Article},
url = {/brokenurl#<Go to ISI>://WOS:000418986800002},
volume = 93,
year = 2017
}