Synthesis, molecular modelling and NLO properties of new ytterbium(iii) complexes with vildagliptin

Abstract

Two nonlinear optical ytterbium(III) complexes with vildagliptin have been synthesized and their ground state geometries have been predicted by semi-empirical quantum chemistry methods: [Yb(vilda)3(acac)] and [Yb(vilda)2(acac)(bipy)], where vilda = vildagliptin, acac = acetylacetonate and bipy = 2,2'-bipyridine. ATR-Fourier transform infrared (ATR-FTIR) spectral studies have been carried out to identify the functional groups of the novel complexes. The third order nonlinear optical response has been experimentally studied using Z-scan and P-scan methods, and static and frequency dependent second hyperpolarizabilities have been theoretically investigated using the Sparkle/PM6 model. The novel materials in diluted solutions have nonlinear refractive indices comparable to that of carbon disulphide.