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 (Published version)

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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, 2327-2332Publisher:
- 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
Institution/Community
Tehnološko-metalurški fakultetTY - 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 . .