Sol–gel materials doped with 3-(3-(4-(dimethylamino)phenyl)propenoyl)-2 H-chromen-2-one: Spectroscopic and structural elucidation

Abstract

Conventional and linear-polarized IR-spectroscopic tools based on reducing-difference procedures for non-polarized and polarized IR-spectra interpretation as well as orientation technique of solids (colloidal suspension in nematic liquid crystal) and UV/vis spectroscopy are applied for investigation of new sol–gel materials with potential optical application of doped organic dye 3-(3-(4-(dimethylamino)phenyl)propenoyl)-2 H-chromen-2-one (K2) and Sm 3+ ions. The results show that during aging of the monoliths Sm 3+ forms an unstable complex with K2, [Sm(K2) 2(H 2O) 2](NO 3) 3, which transforms to [Sm(H 2O) 6] 3+ one, typical for gel–Sm 3+ system. Quantum chemical ab initio and DFT calculations are reported with a view to support experimental IR-characteristic bands of the system studied.