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

J.A. Novoa-López, P. Martín-Ramos, H. Michinel, I.J. Sola, P. Chamorro-Posada
2015 Optical Materials Express  
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
more » ... 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.
doi:10.1364/ome.5.000503 fatcat:ua5paoj3evepzbkk2jknztadre