Spectroscopie IR et propri et es electroniques de la ninhydrine (C9H4O3 H2O)

Abstract

The aim of this work is to study the structural, electronic and vibrational properties of ninhydrin (C9H4O3H2O). The structural study was carried out using DFT calculations performed by using the isolated molecule and solid state models. After that, the vibrational and electronic properties were studied using two spectroscopic techniques (IR spectroscopy and UV-Visible spectroscopy) as well as DFT calculations. Keywords : ninhydrin, UV-Vis spectroscopy, IR spectroscopy, DFT calculations. R esum e : L'objectif de ce travail est d' etudier les propri et es structurales, electroniques et vibrationnelles de la ninhydrine (C9H4O3H2O) . L' etude structurale a et e r ealis ee en utilisant les calculs DFT selon le mod ele de la mol ecule isol ee et le calcul a l' etat solide. Ensuite, les etudes vibrationnelles et electroniques ont et e r ealis ees par l'utilisation de deux techniques spectroscopiques (la spectroscopie IR et la spectroscopie UV-Visible) ainsi que les calculs DFT.