Second-order Nonlinear Optical Properties of a Series of Benzothiazole Derivatives-中国Betway体育网页登陆

摘要 Thesecond-ordernonlinearoptical(NLO)propertiesofaseriesofbenzothiazolederivativeswerestudiedbyuseoftheZINDO-SOSmethod.Thesechromophoresareformedbyadonor-π-bridge-acceptorsystem,basedonanitrogroupconnectedwithbenzothiazoleastheacceptorandahydroxyl-functionalaminogroupasthedonor.Forthepurposeofcomparison,wealsodesignedmoleculesinwhichnitrobenzeneisanacceptor,Thecalculationresultsindicatethatbenzothiazolederivativesexhibitlargersecond-odrderpolarizabilitiesthannitrobenzenederivatives.InordertoclarifytheoriginoftheNLOresponseofthesechromophores,theirelectronpropertieswereinvestigatedaswell.Thebenzothiazolederivativesaregoodcandidatesforapplicationinelectro-opticaldeviceduetotheirhighopticalnonlinearities,goodthermalandphotonicstability.

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Second-order Nonlinear Optical Properties of a Series of Benzothiazole Derivatives

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