Synthesis, structure, and electronic and photophysical properties of two- and three-layered [3.3]paracyclophane-based donor-acceptor systems

J Org Chem. 2010 Sep 17;75(18):6104-14. doi: 10.1021/jo100688m.

Abstract

The synthesis, structural, redox, and photophysical properties of the two- and three-layered donor-acceptor (D-A) type [3.3]paracyclophanes ([3.3]PCPs) are described. The synthesis of the two- and three-layered [3.3]PCPs 1 and 2 containing 2,1,3-benzothiadiazole (BTD) as an acceptor was achieved by the (p-ethylbenzenesulfonyl)methyl isocyanide coupling method. The cyclic voltammograms of 1 and 2 along with those of respective dione precursors 5 and 7 clearly indicate that the presence of the -CH(2)COCH(2)- bridge interferes with the electronic interactions between the BTD and the benzene rings, suggesting the importance of the through-bond interaction in the ground state. In sharp contrast, the UV/vis spectra of 1 and 5 as well as those of 2 and 7 exhibit similar bands regardless of the presence of the -CH(2)COCH(2)- or -CH(2)CH(2)CH(2)- bridges, indicating that the charge-transfer (CT) interaction is mainly responsible for the through-space interaction. The two-layered PCPs, 5 and 1, show broad structureless fluorescence bands at the same position of 468 nm, while those of the three-layered PCPs, 7 and 2, appear at 501 and 496 nm, respectively, with lower quantum yields compared to those of the two-layered PCPs probably due to the stronger intramolecular CT interaction of the three-layered PCPs in the ground state.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Crystallography, X-Ray
  • Electrochemistry
  • Models, Molecular
  • Molecular Dynamics Simulation
  • Molecular Structure
  • Oxidation-Reduction
  • Photochemistry
  • Polycyclic Compounds / chemical synthesis*
  • Polycyclic Compounds / chemistry
  • Quantum Theory
  • Stereoisomerism

Substances

  • Polycyclic Compounds
  • (2.2)paracyclophane