Post-saturation nonlinear optical properties of polymers

摘要: Abstract The additivity law of properties for weakly coupled supermolecules was proposed to predict post-saturation NLO polymers. For the first time, linear chain length dependence first- and third-order polarizabilities directly observed in finite-field computation polyphenylenes polypyridines containing up 17 units (102 π electrons). Geometries are good agreement with available experimental results. similarity saturated values these both kinds iso- -electronic polymers suggests that electron response is probably principal contribution polarizabilities. another from CT effect end groups will become a mere perturbation after saturation. onset found occur longer higher order polarizability. Another important factor besides weak coupling regular structure which makes each unit middle part polymer have same given property. Other factors affect point different laboratory work were also discussed. This proved be quite helpful multi-component molecular material design.