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

Abstract

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.

Keywords

• triazene
• nonlinear optics
• [2+2] cycloaddition
• homoconjugation
• donor–acceptor systems
• intramolecular charge transfer