All in the twist: Unusually large Stokes shifts and nonlinear optical properties are exhibited by furan-containing teraryl cyclophene derivatives (see picture). These cyclophenes have neither particularly strong electron-donating nor electron-withdrawing groups and have low polarity. DFTcalculations have shown that the unusual photophysical properties are dictated by twisted π systems in the teraryl systems and the bridging double bond. (Chemical Equation Presented).
- Density functional calculations
- Nonlinear optics
- Pi interactions