Solvent dependence of the electronic structure of I(-) and I3(-).

Abstract

We present synchrotron-based I4d photoelectron spectroscopy experiments of solutions from LiI and LiI3 in water, ethanol, and acetonitrile. The experimentally determined solvent-induced binding energy shifts (SIBES) for the monatomic I(–) anion are compared to predictions from simple Born theory, PCM calculations, as well as multiconfigurational quantum… (More)
DOI: 10.1021/jp500533n

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