SERS at different concentrations and vibrational spectroscopic studies of N-butyl-2-isonicotinoylhydrazine-1-carboxamide (INC) are reported. DFT calculations based on silver cluster model and TD-DFT calculations support experimental observations. Raman band enhancements that are only present in some of the SERS spectra further point to the contribution of charge transfer interactions to the overall enhancements INC's Raman modes. The presence of the inactive nR bands in the SERS spectrum is due to the presence of Ag and these show the chemisorption nature of INC with the silver surface in an inclined orientation according to selection rules. The method created in this study can accurately quantify INC and might be applied to medications with structural relevance.(c) 2023 Elsevier B.V. All rights reserved.

SERS spectroscopy for the therapeutic N-butyl-2-isonicotinoylhydrazine-1-carboxamide in silver nanocolloids at different concentrations: Experimental and DFT investigations / Al-Otaibi, J. S.; Mary, Y. S.; Mary, Y. S.; Krátký, M.; Vinsova, J.; Gamberini, M. C.. - In: JOURNAL OF MOLECULAR STRUCTURE. - ISSN 0022-2860. - 1277:(2023), pp. N/A-N/A. [10.1016/j.molstruc.2023.134905]

SERS spectroscopy for the therapeutic N-butyl-2-isonicotinoylhydrazine-1-carboxamide in silver nanocolloids at different concentrations: Experimental and DFT investigations

Gamberini M. C.
2023

Abstract

SERS at different concentrations and vibrational spectroscopic studies of N-butyl-2-isonicotinoylhydrazine-1-carboxamide (INC) are reported. DFT calculations based on silver cluster model and TD-DFT calculations support experimental observations. Raman band enhancements that are only present in some of the SERS spectra further point to the contribution of charge transfer interactions to the overall enhancements INC's Raman modes. The presence of the inactive nR bands in the SERS spectrum is due to the presence of Ag and these show the chemisorption nature of INC with the silver surface in an inclined orientation according to selection rules. The method created in this study can accurately quantify INC and might be applied to medications with structural relevance.(c) 2023 Elsevier B.V. All rights reserved.
2023
1277
N/A
N/A
SERS spectroscopy for the therapeutic N-butyl-2-isonicotinoylhydrazine-1-carboxamide in silver nanocolloids at different concentrations: Experimental and DFT investigations / Al-Otaibi, J. S.; Mary, Y. S.; Mary, Y. S.; Krátký, M.; Vinsova, J.; Gamberini, M. C.. - In: JOURNAL OF MOLECULAR STRUCTURE. - ISSN 0022-2860. - 1277:(2023), pp. N/A-N/A. [10.1016/j.molstruc.2023.134905]
Al-Otaibi, J. S.; Mary, Y. S.; Mary, Y. S.; Krátký, M.; Vinsova, J.; Gamberini, M. C.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/1333309
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