Abstract
We present the results of quantum-chemical calculations on the electronic and second-order nonlinear optical properties of two sets of organic conjugated compounds. The first set consists of donor-acceptor diphenylacetylene molecules, which are prototypical of push-pull (dipolar) systems. The theoretical results are compared in detail to the experimental data of Stiegman and co-workers. The second set of compounds deals with so-called octupolar molecules for which the dipolar contributions to β are negligible. The most important result of the calculations is that the octupolar contributions can be very large, as recently confirmed by Hyper-Rayleigh scattering measurements.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 263-287 |
| Number of pages | 25 |
| Journal | Molecular Crystals and Liquid Crystals Science and Technology Section B: Nonlinear Optics |
| Volume | 6 |
| Issue number | 3-4 |
| State | Published - 1994 |
| Externally published | Yes |
ASJC Scopus subject areas
- Control and Systems Engineering
- Condensed Matter Physics