Quantum-Chemical Calculations of First-Order Hyperpolarizability of Epoxy Oligomers with Chromophore in the main Chain

Results of quantum-chemical calculations of first hyperpolarizabilities for a number of epoxy oligomers with nonlinear optical (NLO) chromophores incorporated into the main chain as a side group are presented. These oligomers simulate the internode chains of cross-linked NLO materials, which are the most promising candidates for application in optoelectronics. The attempt is made to establish a re…