title: C2-Symmetric ferrocenyl bisthiazoles: synthesis, photophysical, electrochemical and DFT studies.
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.
authors: Department of Chemistry, Indian Institute of Technology Indore, Indore-452 017, India. rajneeshmisra@iiti.ac.in.
authors: Ramesh
authors: R
authors: Maragani
authors: Prabhat
authors: P
authors: Gautam
authors: Shaikh M
authors: SM
authors: Mobin
authors: Rajneesh
authors: R
authors: Misra