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Vibrational properties of inclusion complexes: the case of indomethacin-cyclodextrin

B. Rossi·P. Verrocchio·G. Viliani·G. Scarduelli·G. Guella·I. Mancini
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Abstract

Vibrational properties of inclusion complexes with cyclodextrins are studied by means of Raman spectroscopy and numerical simulation. In particular, Raman spectra of the non-steroidal, anti-inflammatory drug indomethacin undergo notable changes in the energy range between 1600 and 1700 cm$^{-1}$ when inclusion complexes with cyclodextrins are formed. By using both \emph{ab initio} quantum chemical calculations and molecular dynamics, we studied how to relate such changes to the geometry of the inclusion process, disentangling single-molecule effects, from changes in the solid state structure or dimerization processes.

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B. Rossi, P. Verrocchio, G. Viliani, G. Scarduelli, G. Guella, I. Mancini. 2006-05-11. Vibrational properties of inclusion complexes: the case of indomethacin-cyclodextrin. https://doi.org/10.1063/1.2217952

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