Ferrocene conjugated Y-shaped imidazole push-pull chromophores: Structural, luminescence, theoretical, linear and nonlinear optical studies

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Published Sep 11, 2021
Prabu Selvam Palanisami Nallasamy

Abstract

The development of molecular based second order non-linear optical (NLO) chromophores is an exciting discipline with important applications such as optical data storage, telecommunications, optical switch, electro-optic modulator, and NLO bioimaging [1]. Ferrocene conjugated Y-shaped push-pull chromophores 1-6 were synthesized and spectroscopically characterized. The structure of the chromophores 5 and 6 were confirmed by the single crystal X-ray diffraction studies, and it crystallized in a triclinic crystal system with a P-1 centrosymmetric space group. It exhibits several non-covalent interactions in the crystal packing [2]. The solvatochromic studies of chromophores 1-6 showed positive solvatochromism with red-shift from non-polar to polar solvents, due to the high dipolar excited state from the presence of strong electron-donor and acceptor moieties. The electrochemical performance of the chromophores revealed that the one-electron transfer from the ferrocene to ferrocenium ion (Fe2+/Fe3+). The chromophores 1-6 exhibited low fluorescence intensity due to the quenching nature of ferrocene and then enhanced emission was observed in the aggregation-induced emission (AIE) process, because of the restricted intramolecular rotation. The nonlinear optical response was attained by the Kurtz-Perry powder technique and KDP was used as standard. The second harmonic generation (SHG) efficiency of chromophore 4 shows higher than the others due to the presence of strong donors. In addition, the experimental results were validated with theoretically by DFT/TD-DFT using the B3LYP/6-31+G** level of theory and will be presented.

Fig.1. (a)Single crystal structure of the chromophore 6 and (b) SHG efficiencies of the chromophores.

 

How to Cite

Selvam, P., & Nallasamy , P. (2021). Ferrocene conjugated Y-shaped imidazole push-pull chromophores: Structural, luminescence, theoretical, linear and nonlinear optical studies. SPAST Abstracts, 1(01). Retrieved from https://spast.org/techrep/article/view/287
Abstract 34 |

Article Details

Keywords

Ferrocene, aggregation-induced emission, SHG efficiencies, positive solvatochromism, DFT studies

References
[1] S. Prabu, E. David, T. Viswanathan, K. Thirumoorty, T. Panda, C. Dragonetti, A. Colombo, D. Marinotto, S. Righetto, D. Roberto, N. Palanisami, Dalton Trans., 49, 1854-1863 (2020).
https://doi.org/10.1039/C9DT03637G   

[2] E. David, A. Colombo, C. Dragonetti, N. Palanisami, Chem. Eur. J., 27, 7124-7137 (2021).
https://doi.org/10.1002/chem.202005059
Section
NS2: Chemistry

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