Click-Type Synthesis of Homoconjugated Push-Pull Chromophores: Computational Investigation of Optical and Nonlinear Optical (NLO) Properties

Homoconjugated push-pull chromophores were obtained by an efficient, click-type formal [2+2] cycloaddition. With these short synthetic transformations, complex chromophore structures were achieved in a single step without any by-product formation. Significant second-order optical nonlinearities have been calculated for the synthesized compounds.