Static hyperpolarizabilities of two-dimensional molecular aggregates Original Research Article

Nonlinear optical (NLO) properties of push–pull molecules of different conformations are investigated within the model of two-dimensional site array. A general formalism for calculation of the static polarizability α and hyperpolarizabilities β and γ tensors is proposed. The model is applied to the cases of linear and `bentʹ acceptor-bridge-donor trimers and the choice of parameters aimed to enhancing the NLO response is discussed.