Abstract
In a joint experimental and theoretical effort in the development of new ferroelectric liquid crystals for nonlinear optical applications, we present here a computational study of the second harmonic generation properties of a family of sulfinate-based ferroelectric liquid crystals. The static and dynamic first hyperpolarizabilities of those molecules are investigated using the ab initio time-dependent Hartree-Fock approach. Comparison with reference systems demonstrates the high potential of the presented compounds towards applications as nonlinear optical ferroelectric liquid crystals.
| Original language | English |
|---|---|
| Pages (from-to) | 116-120 |
| Number of pages | 5 |
| Journal | Chemical Physics Letters |
| Volume | 440 |
| Issue number | 1-3 |
| DOIs | |
| Publication status | Published - 25 May 2007 |