Physical Inorganic Chemistry
ChemInform Abstract: Investigation of Heterodimeric and Homodimeric Radical Cations of the Series: [F2O2]+, [F2Cl2]+, [Cl2O2]+, [F4]+, and [Cl4]+.
First published: 05 April 2012
Abstract
Structures, thermochemical stability, Born-Fajans-Haber cycles, and vibrational data of the title ions are quantum-chemically obtained by coupled-cluster calculations with single and double substitution as well as perturbative triple excitations.
