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Issue 29, 2009
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The diatomic dication PO2+

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Abstract

The diatomic dication PO2+ has been generated by the sputtering of surface-oxidized InP wafers and by electron ionization of gaseous trimethyl phosphate. According to ab initio calculations, the dication PO2+ is metastable with respect to dissociation into P+ + O+, and the calculated ionization energy of the PO+ monocation to form the dicationic species is ca. 22.6 eV. The potential energy functions for the ground state and twelve low-lying excited electronic states of the PO2+ dication have been calculated using high-level ab initio methods with adiabatic excitation energies of PO2+, spectroscopic constants and the ionization energies of PO and PO+ being determined. Upon collision with xenon, electron transfer to PO2+ takes place to form the PO+ monocation together with a small amount of dissociative electron transfer to form P+. Upon collisions of PO2+ with deuterium, charge separation is accompanied by a bond-forming reaction to yield monocationic POD+.

Graphical abstract: The diatomic dication PO2+

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Publication details

The article was received on 10 Feb 2009, accepted on 31 Mar 2009 and first published on 13 May 2009


Article type: Paper
DOI: 10.1039/B902843A
Citation: Phys. Chem. Chem. Phys., 2009,11, 6192-6198
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    The diatomic dication PO2+

    Á. Révész, B. Sztáray, D. Schröder, K. Franzreb, J. Fišer, S. D. Price and J. Roithová, Phys. Chem. Chem. Phys., 2009, 11, 6192
    DOI: 10.1039/B902843A

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