Abstract
We report herein the linear optical properties of some extended 1,3,5-triphenylbenzene derivatives 1,3,5-[(1,4-C6H4)CC(4-C6H4X)](3)(C6H3) (3-X; X=NO2, CN, H, OMe, NMe2, NPh2) and briefly discuss the two-photon absorption (2PA) cross-sections determined for the derivatives featuring the most electron-rich substituents, contrasting their 2PA performance with the 2PA values previously gathered for their triphenylisocyanurate analogues N,N',N ''-[(1,4-C6H4)CC(4-C6H4X)](3)(N-3{C(O)}(3)) (1-X). When functionalized by electron-releasing substituents at their periphery, 3-X derivatives are potent substitutes for 1-X compounds in NLO applications, especially when maximal transparency is not required in the visible range. Some rationalization of this unexpected outcome is proposed based on DFT calculations.