1. C2-Symmetric ferrocenyl bisthiazoles: synthesis, photophysical, electrochemical and DFT studies.
- Author
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Maragani, Ramesh, Gautam, Prabhat, Mobin, Shaikh M., and Misra, Rajneesh
- Subjects
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THIAZOLES , *ELECTROCHEMICAL analysis , *SONOGASHIRA reaction , *DENSITY functional theory , *THERMAL stability , *CRYSTAL structure - Abstract
A series of donor–acceptor ferrocenyl substituted bisthiazoles 3–8 were designed and synthesized by the Pd-catalyzed Suzuki, Heck, and Sonogashira cross-coupling reactions. Their photophysical, electrochemical and computational studies reveal strong donor–acceptor interactions. The photonic and electrochemical studies show that the ferrocenyl bisthiazoles with vinyl linkage ferrocenyl-bisthiazole 4, show better electronic communication compared to rest of the ferrocenyl bisthiazoles. The time dependent density functional theory (TD-DFT) calculation at B3LYP on the ferrocenyl substituted bisthiazoles 3–5 was performed, in which the ferrocenyl-bisthiazole 4 shows strong donor–acceptor interactions compared to the Fc-bisthiazoles 3 and 5. The thermal stability of the ferrocenyl substituted bisthiazoles 3–8 is reported, in which Fc-bisthiazole 8 shows high thermal stability. The single crystal structures of ferrocenyl-bisthiazoles 3 and 5 are reported. [ABSTRACT FROM AUTHOR]
- Published
- 2016
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