3rd International Conference on Mathematical Modeling in Physical Sciences | |
Quantum mechanics study on the nonlinear optical responses of a series of 4-hydroxy, 4'-cyanoazobenzene dimers | |
物理学;数学 | |
Derrar, S.N.^1 ; Sekkal-Rahal, M.^1 ; Springborg, M.^2 | |
Laboratoire de Microscopie, Microanalyse de la Matière et Spectroscopie Moléculaire, Université Djilali Liabès, B.P. 89, Sidi Bel Abbès | |
22000, Algeria^1 | |
Physikalische und Theoretische Chemie, Universitaet des Saarlandes, Postsfach 151150, Saarbruecken | |
66041, Germany^2 | |
关键词: Additivity rules; Azo chromophores; First hyperpolarizabilities; Nonlinear optical properties; Nonlinear optical response; Theoretical study; | |
Others : https://iopscience.iop.org/article/10.1088/1742-6596/574/1/012007/pdf DOI : 10.1088/1742-6596/574/1/012007 |
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来源: IOP | |
【 摘 要 】
Nonlinear optical (NLO) properties are mainly measured by the first hyperpolarizability β(0) magnitudes. Besides analyzing the NLO behaviours of monomers, dimerization of chromophores has been found of a huge interest for the application in several optical areas. In the present work, a theoretical study has been carried out on a series of dimers constituted by the azo-chromophore 4-hydroxy, 4'-cyanoazobenzene (HCAB). Combinations of vinylic and styrenic oligomers as well as of 1,3-diphenyl propnane (1,3-DPP) to HCAB have been also investigated. No influence of geometrical parameters has been detected. Indeed, after establishing a comparison with β(0) of monomeric entities, results show that the NLO response of these dimers is not guided by any additivity rule.
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