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

Authorized Users Only
2011
Authors
Veličković, Suzana
Veljković, Filip M.
Perić-Grujić, Aleksandra
Radak, Bojan
Veljković, Miomir V.
Article (Published version)
Metadata
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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:
  • Effects of laser radiation and plasma on novel materials in their synthesis, modification, and analysis (RS-172019)

DOI: 10.1002/rcm.5128

ISSN: 0951-4198

PubMed: 21766375

WoS: 000293740100009

Scopus: 2-s2.0-84861959503
[ Google Scholar ]
22
21
URI
http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1859
Collections
  • Radovi istraživača / Researchers’ publications (TMF)
Institution/Community
Tehnološko-metalurški fakultet
TY  - JOUR
AU  - Veličković, Suzana
AU  - Veljković, Filip M.
AU  - Perić-Grujić, Aleksandra
AU  - Radak, Bojan
AU  - Veljković, Miomir V.
PY  - 2011
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1859
AB  - 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.
PB  - Wiley, Hoboken
T2  - Rapid Communications in Mass Spectrometry
T1  - Ionization energies of K2X (X=F, Cl, Br, I) clusters
EP  - 2332
IS  - 16
SP  - 2327
VL  - 25
DO  - 10.1002/rcm.5128
ER  - 
@article{
author = "Veličković, Suzana and Veljković, Filip M. and Perić-Grujić, Aleksandra and Radak, Bojan and Veljković, Miomir V.",
year = "2011",
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.",
publisher = "Wiley, Hoboken",
journal = "Rapid Communications in Mass Spectrometry",
title = "Ionization energies of K2X (X=F, Cl, Br, I) clusters",
pages = "2332-2327",
number = "16",
volume = "25",
doi = "10.1002/rcm.5128"
}
Veličković, S., Veljković, F. M., Perić-Grujić, A., Radak, B.,& Veljković, M. V.. (2011). Ionization energies of K2X (X=F, Cl, Br, I) clusters. in Rapid Communications in Mass Spectrometry
Wiley, Hoboken., 25(16), 2327-2332.
https://doi.org/10.1002/rcm.5128
Veličković S, Veljković FM, Perić-Grujić A, Radak B, Veljković MV. Ionization energies of K2X (X=F, Cl, Br, I) clusters. in Rapid Communications in Mass Spectrometry. 2011;25(16):2327-2332.
doi:10.1002/rcm.5128 .
Veličković, Suzana, Veljković, Filip M., Perić-Grujić, Aleksandra, Radak, Bojan, Veljković, Miomir V., "Ionization energies of K2X (X=F, Cl, Br, I) clusters" in Rapid Communications in Mass Spectrometry, 25, no. 16 (2011):2327-2332,
https://doi.org/10.1002/rcm.5128 . .

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