We report spectroscopic and quantum-chemical investigations comparing the two-photon absorption (TPA) properties of a bis(dioxaborine)-substituted derivative of biphenyl with those of a bis(dioxaborine) carbazole derivative. The former molecule is close to linear and centrosymmetric, while the dioxaborine groups of the latter are in a V-shaped arrangement, due to their linkage to the 3 and 6 positions of the bridging group. For both systems, we find sizable TPA cross sections (on the order of 360-530 × 10 -50 cm 4 s/photon). Interestingly, while the TPA response in the biphenyl-based system can be well described on the basis of the traditional three-state model, a significantly larger number of excited states needs to be considered for the carbazole derivative. We present a detailed comparison of the convergence of the theoretical approaches and an analysis of the various channels that contribute to the TPA response in molecules with low effective symmetries.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Surfaces, Coatings and Films
- Materials Chemistry