TY  - JOUR
AU  - Milovanović, Milan
AU  - Veličković, Suzana
AU  - Veljković, Filip M.
AU  - Jerosimic, Stanka
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1838
AB  - In the present study, we report the results of a detailed theoretical investigation along with the experimental observations of chlorine-doped small lithium clusters. The cluster ions of the type LinClm+ (n GT = m, n = 1-6, m = 1-3) were obtained by the evaporation of LiCl from a Knudsen cell as a chemical reactor in the temperature range between 1800 and 2700 K. Heterogeneous clusters with more than one Cl atom are produced and detected for the first time, and the experimental conditions for formation and stability are examined. The structural characteristics and stabilities of neutral and positively charged LinClm species are analyzed by using quantum chemistry methods. Doping lithium clusters with chlorine increases their stability, although there is a typical closed-shell-open-shell alternation in stability. Calculated dissociation energies are the best indicator of cluster stability of experimentally detected clusters. Heterogeneous lithium-chloride clusters can be viewed as species consisting of m negative Cl- ions and a positively charged Li-n((1+,2+)) cage; upon ionization, an electron departs from the lithium cage. An important reason for the higher stability of closed-shell clusters is the delocalization of electrons over the lithium cage, which is more energetically favored than localization of electrons between two lithium atoms. According to their ionization energies, the titled clusters can be classified as superalkalis.
T2  - Physical Chemistry Chemical Physics
T1  - Structure and stability of small lithium-chloride LinClm(0,1+) (n GT = m, n=1-6, m=1-3) clusters
VL  - 19
IS  - 45
SP  - 30481
EP  - 30497
DO  - 10.1039/c7cp04181k
ER  - 

@article{
author = "Milovanović, Milan and Veličković, Suzana and Veljković, Filip M. and Jerosimic, Stanka",
year = "2017",
abstract = "In the present study, we report the results of a detailed theoretical investigation along with the experimental observations of chlorine-doped small lithium clusters. The cluster ions of the type LinClm+ (n GT = m, n = 1-6, m = 1-3) were obtained by the evaporation of LiCl from a Knudsen cell as a chemical reactor in the temperature range between 1800 and 2700 K. Heterogeneous clusters with more than one Cl atom are produced and detected for the first time, and the experimental conditions for formation and stability are examined. The structural characteristics and stabilities of neutral and positively charged LinClm species are analyzed by using quantum chemistry methods. Doping lithium clusters with chlorine increases their stability, although there is a typical closed-shell-open-shell alternation in stability. Calculated dissociation energies are the best indicator of cluster stability of experimentally detected clusters. Heterogeneous lithium-chloride clusters can be viewed as species consisting of m negative Cl- ions and a positively charged Li-n((1+,2+)) cage; upon ionization, an electron departs from the lithium cage. An important reason for the higher stability of closed-shell clusters is the delocalization of electrons over the lithium cage, which is more energetically favored than localization of electrons between two lithium atoms. According to their ionization energies, the titled clusters can be classified as superalkalis.",
journal = "Physical Chemistry Chemical Physics",
title = "Structure and stability of small lithium-chloride LinClm(0,1+) (n GT = m, n=1-6, m=1-3) clusters",
volume = "19",
number = "45",
pages = "30481-30497",
doi = "10.1039/c7cp04181k"
}

Milovanović, M., Veličković, S., Veljković, F. M.,& Jerosimic, S.. (2017). Structure and stability of small lithium-chloride LinClm(0,1+) (n GT = m, n=1-6, m=1-3) clusters. in Physical Chemistry Chemical Physics, 19(45), 30481-30497.
https://doi.org/10.1039/c7cp04181k

Milovanović M, Veličković S, Veljković FM, Jerosimic S. Structure and stability of small lithium-chloride LinClm(0,1+) (n GT = m, n=1-6, m=1-3) clusters. in Physical Chemistry Chemical Physics. 2017;19(45):30481-30497.
doi:10.1039/c7cp04181k .

Milovanović, Milan, Veličković, Suzana, Veljković, Filip M., Jerosimic, Stanka, "Structure and stability of small lithium-chloride LinClm(0,1+) (n GT = m, n=1-6, m=1-3) clusters" in Physical Chemistry Chemical Physics, 19, no. 45 (2017):30481-30497,
https://doi.org/10.1039/c7cp04181k . .

TY  - JOUR
AU  - Radisavljevic, Maja
AU  - Kamceva, Tina
AU  - Vukićević, Iva A.
AU  - Nišavić, Marija
AU  - Milovanović, Milan
AU  - Petković, Marijana
PY  - 2013
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5605
AB  - We compare the quality and reliability of laser desorption and ionisation mass spectra of FeCl3 acquired without the assistance of the matrix with the spectra acquired with different organic matrix molecules. Generally, inorganic salts tend to form clusters upon laser irradiation, the signals of which can be easily distinguished from ions arising from the matrix. In the presence of a matrix, cluster ions are, however, mostly suppressed. We have compared the number of analyte signals, accuracy of determination of isotope composition of the analyte and the sensitivity of FeCl3 detection between different approaches. The results obtained imply that the sensitivity of mass spectrometric analysis of FeCl3 is somewhat higher when matrices are applied than in the matrix-free approach. Among all matrices tested in this work, F20TPP seems to be the most promising for further applications as a matrix for mass spectrometry of inorganic salts.
T2  - European Journal of Mass Spectrometry
T1  - Sensitivity and accuracy of organic matrix-assisted Laser desorption and ionisation mass spectrometry of FeCl3 is higher than in in matrix-free approach
VL  - 19
IS  - 2
SP  - 77
EP  - 89
DO  - 10.1255/ejms.1217
ER  - 

@article{
author = "Radisavljevic, Maja and Kamceva, Tina and Vukićević, Iva A. and Nišavić, Marija and Milovanović, Milan and Petković, Marijana",
year = "2013",
abstract = "We compare the quality and reliability of laser desorption and ionisation mass spectra of FeCl3 acquired without the assistance of the matrix with the spectra acquired with different organic matrix molecules. Generally, inorganic salts tend to form clusters upon laser irradiation, the signals of which can be easily distinguished from ions arising from the matrix. In the presence of a matrix, cluster ions are, however, mostly suppressed. We have compared the number of analyte signals, accuracy of determination of isotope composition of the analyte and the sensitivity of FeCl3 detection between different approaches. The results obtained imply that the sensitivity of mass spectrometric analysis of FeCl3 is somewhat higher when matrices are applied than in the matrix-free approach. Among all matrices tested in this work, F20TPP seems to be the most promising for further applications as a matrix for mass spectrometry of inorganic salts.",
journal = "European Journal of Mass Spectrometry",
title = "Sensitivity and accuracy of organic matrix-assisted Laser desorption and ionisation mass spectrometry of FeCl3 is higher than in in matrix-free approach",
volume = "19",
number = "2",
pages = "77-89",
doi = "10.1255/ejms.1217"
}

Radisavljevic, M., Kamceva, T., Vukićević, I. A., Nišavić, M., Milovanović, M.,& Petković, M.. (2013). Sensitivity and accuracy of organic matrix-assisted Laser desorption and ionisation mass spectrometry of FeCl3 is higher than in in matrix-free approach. in European Journal of Mass Spectrometry, 19(2), 77-89.
https://doi.org/10.1255/ejms.1217

Radisavljevic M, Kamceva T, Vukićević IA, Nišavić M, Milovanović M, Petković M. Sensitivity and accuracy of organic matrix-assisted Laser desorption and ionisation mass spectrometry of FeCl3 is higher than in in matrix-free approach. in European Journal of Mass Spectrometry. 2013;19(2):77-89.
doi:10.1255/ejms.1217 .

Radisavljevic, Maja, Kamceva, Tina, Vukićević, Iva A., Nišavić, Marija, Milovanović, Milan, Petković, Marijana, "Sensitivity and accuracy of organic matrix-assisted Laser desorption and ionisation mass spectrometry of FeCl3 is higher than in in matrix-free approach" in European Journal of Mass Spectrometry, 19, no. 2 (2013):77-89,
https://doi.org/10.1255/ejms.1217 . .

TY  - JOUR
AU  - Đustebek, Jasmina B.
AU  - Milovanović, Milan
AU  - Jerosimic, Stanka
AU  - Veljković, Miomir V.
AU  - Veličković, Suzana
PY  - 2013
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5269
AB  - The neutrals of the LinI (n = 2-6) clusters were detected using Knudsen-cell which was placed into ionization chamber of the magnetic sector mass spectrometer. The first theoretical and experimental data on the Li3I and Li5I clusters were presented in this Letter. The ionization energies of the neutral of Li3I and Li5I clusters, obtained by the electron impact ionization mass spectrometry, were (5.14 +/- 0.25) and (4.62 +/- 0.25) eV, respectively. We report the geometry, ionization energies and thermodynamical stability of these clusters, calculated at the restricted coupled cluster RHF-RCCSD/cc-pVTZ(Li), cc-pVTZ-PP(I) level of theory. (C) 2012 Elsevier B. V. All rights reserved.
T2  - Chemical Physics Letters
T1  - Theoretical and experimental study of the non-stoichiometric LinI (n=3 and 5) clusters
VL  - 556
SP  - 380
EP  - 385
DO  - 10.1016/j.cplett.2012.11.086
ER  - 

@article{
author = "Đustebek, Jasmina B. and Milovanović, Milan and Jerosimic, Stanka and Veljković, Miomir V. and Veličković, Suzana",
year = "2013",
abstract = "The neutrals of the LinI (n = 2-6) clusters were detected using Knudsen-cell which was placed into ionization chamber of the magnetic sector mass spectrometer. The first theoretical and experimental data on the Li3I and Li5I clusters were presented in this Letter. The ionization energies of the neutral of Li3I and Li5I clusters, obtained by the electron impact ionization mass spectrometry, were (5.14 +/- 0.25) and (4.62 +/- 0.25) eV, respectively. We report the geometry, ionization energies and thermodynamical stability of these clusters, calculated at the restricted coupled cluster RHF-RCCSD/cc-pVTZ(Li), cc-pVTZ-PP(I) level of theory. (C) 2012 Elsevier B. V. All rights reserved.",
journal = "Chemical Physics Letters",
title = "Theoretical and experimental study of the non-stoichiometric LinI (n=3 and 5) clusters",
volume = "556",
pages = "380-385",
doi = "10.1016/j.cplett.2012.11.086"
}

Đustebek, J. B., Milovanović, M., Jerosimic, S., Veljković, M. V.,& Veličković, S.. (2013). Theoretical and experimental study of the non-stoichiometric LinI (n=3 and 5) clusters. in Chemical Physics Letters, 556, 380-385.
https://doi.org/10.1016/j.cplett.2012.11.086

Đustebek JB, Milovanović M, Jerosimic S, Veljković MV, Veličković S. Theoretical and experimental study of the non-stoichiometric LinI (n=3 and 5) clusters. in Chemical Physics Letters. 2013;556:380-385.
doi:10.1016/j.cplett.2012.11.086 .

Đustebek, Jasmina B., Milovanović, Milan, Jerosimic, Stanka, Veljković, Miomir V., Veličković, Suzana, "Theoretical and experimental study of the non-stoichiometric LinI (n=3 and 5) clusters" in Chemical Physics Letters, 556 (2013):380-385,
https://doi.org/10.1016/j.cplett.2012.11.086 . .