Kornelia Pielak

TL;DR: In this paper, the second-order hyperpolarizability contrasts upon commutation between their closed and open forms are characterized using hyper-Rayleigh scattering (HRS) measurements, and rationalized by means of density functional theory and post Hartree-Fock ab initio calculations.

TL;DR: In this article, the synthesis and characterization of the linear and second-order nonlinear optical properties are reported for a new derivative of the indolino-oxazolidine family, which exploits the strong donor capacity of the ferrocenyl unit.

TL;DR: In this article, a multiscale computational method and experimental characterizations are combined to provide a full description of the second harmonic generation (SHG) responses of molecular switches built from the association of the indolino-oxazolidine unit to a bithiophene donor.

TL;DR: A computational approach combining molecular dynamic simulations and density functional theory calculations is implemented to evaluate the second-order nonlinear optical (NLO) responses of photoresponsive self-assembled monolayers (SAMs) based on indolino-oxazolidine molecular switches, revealing a high degree of positional disorder and an almost isotropic orientation of the chromophores.

TL;DR: The second-order nonlinear optical properties of a push-pull monomer, as well as of its dimer composed of two monomeric units connected through a non-conjugated spiro junction, are investigated by means of hyper-Rayleigh scattering (HRS) and quantum chemical calculations as discussed by the authors.