Ionization energies of K2X (X=F, Cl, Br, I) clusters

S R Veličković; F M Veljković; A A Perić-Grujić; B B Radak; M V Veljković

doi:10.1002/rcm.5128

Ionization energies of K2X (X=F, Cl, Br, I) clusters

Rapid Commun Mass Spectrom. 2011 Aug 30;25(16):2327-32. doi: 10.1002/rcm.5128.

Authors

S R Veličković¹, F M Veljković, A A Perić-Grujić, B B Radak, M V Veljković

Affiliation

¹ VINČA Institute of Nuclear Sciences, University of Belgrade, P.O. Box 522, 11001 Belgrade, Serbia. vsuzana@vinca.rs

PMID: 21766375
DOI: 10.1002/rcm.5128

Abstract

The electronic structure and properties of dipotassiummonohalides are important for understanding the unique physical and chemical behavior of M(n)X systems. In the present study, K(2) X (here X=F, Cl, Br, I) clusters were generated in the vapor over salts of the corresponding potassium halide, using a magnetic sector thermal ionization mass spectrometer. The ionization energies obtained for K(2)F, K(2)Cl, K(2)Br, and K(2)I molecules were 3.82 ± 0.1 eV, 3.68 ± 0.1 eV, 3.95 ± 0.1 eV, and 3.92 ± 0.1, respectively. These experimental values of ionization energies for K(2) X (X=F, Br, and I) are presented for the first time. The ionization energy of K(2)Cl determined by thermal ionization corresponds to previous results obtained by photoionization mass spectrometry, and it agrees with the theoretical ionization energy calculated by the ab initio method. The presently obtained results support previous theoretical predictions that the excess electron in dipotassiummonohalide clusters is delocalized over two potassium atoms, which is characteristic for F-center clusters.