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Double photoionisation spectra of small molecules and a new empirical rule for double ionisation energies
Authors:Ryan D. Molloy  Anna Danielsson  Leif Karlsson  John H.D. Eland
Affiliation:1. Physical and Theoretical Chemistry Laboratory, Oxford University, South Parks Road, Oxford OX1 3QZ, UK;2. Department of Physics, Uppsala University, Box 530, SE-751 Uppsala, Sweden
Abstract:
Complete double photoelectron spectra are presented for 18 small molecules where the location of charges in the cations and dications is relatively clearly defined. The data demonstrate the importance of a coulombic repulsion contribution to the double ionisation energies. Examination of data for a wide range of molecules leads to a new empirical rule to calculate double ionisation energies from the molecules’ single ionisation energies and maximum dimensions. Where single and double ionisation energies are known the rule allows the deduction of plausible intercharge distances.
Keywords:Double photoionisation   Double ionisation energies   Iodides   Diiodides   Dibromides   Diamines   PEPECO
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