A series of the substituted two-electron acceptors with a dicyanomethylene-bridged acridophosphine scaffold has been prepared and compared with the nitrogen-containing counterpart using various spectroscopic, electrochemical and theoretical methods.
Dr. Pavlo Dral
Computer Chemistry
Tag: synergy between theory and experiment
The Effect of the Heteroatom in Organic Acceptors with Acridophosphine Scaffold
Tagged with: ab initio, Chem. Eur. J., DFT, fluorescence, IR spectra, synergy between theory and experiment, UV/Vis spectra
Stable Chiral Dithia-Bridged Hetero[4]helicene Radical Cation
A stable axially chiral radical cation of dithia-bridged hetero[4]helicene has been synthesized and analyzed using experimental and theoretical methods.
Synergy Between Theory and Experiment: Stability of Pyridyl N-Heterotriangulene Ions
The stability of odd- vs even-electron ions derived from pyridine-substituted N-heterotriangulenes has been investigated by both experiment and theory.