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

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2011
Authors
Veličković, Suzana
Veljković, Filip M.
Perić-Grujić, Aleksandra
Radak, Bojan
Veljković, Miomir V.
article (publishedVersion)
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Abstract
The electronic structure and properties of dipotassiummonohalides are important for understanding the unique physical and chemical behavior of MnX systems. In the present study, K2X (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 K2F, K2Cl, K2Br, and K2I molecules were 3.82 +/- 0.1eV, 3.68 +/- 0.1eV, 3.95 +/- 0.1eV, and 3.92 +/- 0.1, respectively. These experimental values of ionization energies for K2X (X=F, Br, and I) are presented for the first time. The ionization energy of K2Cl 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.

Source:
Rapid Communications in Mass Spectrometry, 2011, 25, 16, 2327-2332
Publisher:
  • Wiley, Hoboken
Funding / projects:
  • info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172019/RS// (RS-172019)

DOI: 10.1002/rcm.5128

ISSN: 0951-4198

PubMed: 21766375

WoS: 000293740100009

Scopus: 2-s2.0-84861959503
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URI
http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1859
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  • Radovi istraživača / Researchers’ publications (TMF)
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Tehnološko-metalurški fakultet

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