Quantum mechanics study on the nonlinear optical responses of a series of 4-hydroxy, 4'-cyanoazobenzene dimers

3rd International Conference on Mathematical Modeling in Physical Sciences

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

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.