Negative electron affinities from DFT: Fluorination of ethylene
Michael J. G. Peach, Frank De Proft, David J. Tozer, J. Phys. Chem. Lett., 1, 2826–2831, 2010.
This paper is my first collaboration with Prof Frank De Proft, of the University of Brussels. It involves the investigation of a subtle trend in the negative electron affinities of a series of fluorinated ethylene derivatives, using theoretical techniques developed to describe negative affinities. It was highlighted that simple electron-confinement techniques can yield high-quality trends. It also highlighted a problem with electron binding, which will be the subject of a forthcoming paper.
Further information, including details of subsequent work in this area, can be found on the research page. For the abstract, and access to the full text, see below.