TY  - JOUR
AU  - Petković, Marijana
AU  - Leopold, Jenny
AU  - Popović, Iva A.
AU  - Dimić, Dušan
AU  - Ilić, Jelica
AU  - Nenadović, Miloš
AU  - Rakočević, Zlatko Lj.
AU  - Schiller, Jürgen
PY  - 2020
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8623
AB  - In this work, the performances of two ionic liquid matrices (ILMs) with the same ammonium counterpart for mass spectrometric analysis of the insoluble and soluble sucralfate were compared. Matrix-assisted laser desorption/ionization mass spectrometry (MALDI MS) was performed assisted by the butylammonium salts of α-cyano-hydroxycinnamic acid (CHCAB) and 2,5-dihydroxybenzoic acid (DHBB). CHCAB has a higher IE than DHBB, but better optical properties. CHCAB is more suitable for the analysis of sucralfate, although molecular ions of both compounds were detectable only with low intensities. Thus, optical properties of ILMs are crucial to enhance the sensitivity of MALDI MS detection of polysulfated oligosaccharides. © 2019, © 2019 Taylor & Francis Group, LLC.
T2  - Journal of Carbohydrate Chemistry
T1  - Performances of ionic liquid matrices with butyl ammonium counterion for matrix-assisted laser desorption/ionization mass spectrometric detection and analysis of sucralfate
VL  - 39
IS  - 1
SP  - 1
EP  - 23
DO  - 10.1080/07328303.2019.1669633
ER  - 

@article{
author = "Petković, Marijana and Leopold, Jenny and Popović, Iva A. and Dimić, Dušan and Ilić, Jelica and Nenadović, Miloš and Rakočević, Zlatko Lj. and Schiller, Jürgen",
year = "2020",
abstract = "In this work, the performances of two ionic liquid matrices (ILMs) with the same ammonium counterpart for mass spectrometric analysis of the insoluble and soluble sucralfate were compared. Matrix-assisted laser desorption/ionization mass spectrometry (MALDI MS) was performed assisted by the butylammonium salts of α-cyano-hydroxycinnamic acid (CHCAB) and 2,5-dihydroxybenzoic acid (DHBB). CHCAB has a higher IE than DHBB, but better optical properties. CHCAB is more suitable for the analysis of sucralfate, although molecular ions of both compounds were detectable only with low intensities. Thus, optical properties of ILMs are crucial to enhance the sensitivity of MALDI MS detection of polysulfated oligosaccharides. © 2019, © 2019 Taylor & Francis Group, LLC.",
journal = "Journal of Carbohydrate Chemistry",
title = "Performances of ionic liquid matrices with butyl ammonium counterion for matrix-assisted laser desorption/ionization mass spectrometric detection and analysis of sucralfate",
volume = "39",
number = "1",
pages = "1-23",
doi = "10.1080/07328303.2019.1669633"
}

Petković, M., Leopold, J., Popović, I. A., Dimić, D., Ilić, J., Nenadović, M., Rakočević, Z. Lj.,& Schiller, J.. (2020). Performances of ionic liquid matrices with butyl ammonium counterion for matrix-assisted laser desorption/ionization mass spectrometric detection and analysis of sucralfate. in Journal of Carbohydrate Chemistry, 39(1), 1-23.
https://doi.org/10.1080/07328303.2019.1669633

Petković M, Leopold J, Popović IA, Dimić D, Ilić J, Nenadović M, Rakočević ZL, Schiller J. Performances of ionic liquid matrices with butyl ammonium counterion for matrix-assisted laser desorption/ionization mass spectrometric detection and analysis of sucralfate. in Journal of Carbohydrate Chemistry. 2020;39(1):1-23.
doi:10.1080/07328303.2019.1669633 .

Petković, Marijana, Leopold, Jenny, Popović, Iva A., Dimić, Dušan, Ilić, Jelica, Nenadović, Miloš, Rakočević, Zlatko Lj., Schiller, Jürgen, "Performances of ionic liquid matrices with butyl ammonium counterion for matrix-assisted laser desorption/ionization mass spectrometric detection and analysis of sucralfate" in Journal of Carbohydrate Chemistry, 39, no. 1 (2020):1-23,
https://doi.org/10.1080/07328303.2019.1669633 . .

TY  - JOUR
AU  - Milovanović, Branislav
AU  - Milovanović, Milan
AU  - Veličković, Suzana
AU  - Veljković, Filip M.
AU  - Perić-Grujić, Aleksandra A.
AU  - Jerosimić, Stanka
PY  - 2019
UR  - https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.26009
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8352
AB  - Small heterogeneous potassium-iodide clusters are investigated by means of ab initio electronic structural methods together with experimental production and detection in mass spectrometry. Experiments were done by using Knudsen cell mass spectrometry (KCMS) modification method, which provided simultaneous generating of all KnI0,+1 (n = 2–6) clusters at once. Clusters with more than two potassium atoms are produced for the first time. The lowest lying isomers of those KnI0,+1 (n = 2–6) clusters were found by using a random-kick procedure. The best description of growth of these clusters is the addition of one potassium atom to a smaller-neighbor cluster. Subsequently, stability of these species was examined. In spite of general trend of decreasing of binding energies, the closed-shell species have slightly larger stability with respect to the open-shell species. Alternation of dissociation energies between closed-shell and open-shell clusters is presented. Experimental setup also allows determination of ionization energies of clusters: the obtained values are in the range of 3.46–3.98 eV, which classify these clusters as “superalkali.” For closed-shell clusters, the theoretical adiabatic ionization energies are close to experimental values, whereas in the case of open-shell clusters, the vertical ionization energies are those that are close to experimental values. © 2019 Wiley Periodicals, Inc.
T2  - International Journal of Quantum Chemistry
T1  - Theoretical and experimental investigation of geometry and stability of small potassium‐iodide KnI(n=2–6) clusters
VL  - 119
IS  - 22
SP  - e26009
DO  - 10.1002/qua.26009
ER  - 

@article{
author = "Milovanović, Branislav and Milovanović, Milan and Veličković, Suzana and Veljković, Filip M. and Perić-Grujić, Aleksandra A. and Jerosimić, Stanka",
year = "2019",
abstract = "Small heterogeneous potassium-iodide clusters are investigated by means of ab initio electronic structural methods together with experimental production and detection in mass spectrometry. Experiments were done by using Knudsen cell mass spectrometry (KCMS) modification method, which provided simultaneous generating of all KnI0,+1 (n = 2–6) clusters at once. Clusters with more than two potassium atoms are produced for the first time. The lowest lying isomers of those KnI0,+1 (n = 2–6) clusters were found by using a random-kick procedure. The best description of growth of these clusters is the addition of one potassium atom to a smaller-neighbor cluster. Subsequently, stability of these species was examined. In spite of general trend of decreasing of binding energies, the closed-shell species have slightly larger stability with respect to the open-shell species. Alternation of dissociation energies between closed-shell and open-shell clusters is presented. Experimental setup also allows determination of ionization energies of clusters: the obtained values are in the range of 3.46–3.98 eV, which classify these clusters as “superalkali.” For closed-shell clusters, the theoretical adiabatic ionization energies are close to experimental values, whereas in the case of open-shell clusters, the vertical ionization energies are those that are close to experimental values. © 2019 Wiley Periodicals, Inc.",
journal = "International Journal of Quantum Chemistry",
title = "Theoretical and experimental investigation of geometry and stability of small potassium‐iodide KnI(n=2–6) clusters",
volume = "119",
number = "22",
pages = "e26009",
doi = "10.1002/qua.26009"
}

Milovanović, B., Milovanović, M., Veličković, S., Veljković, F. M., Perić-Grujić, A. A.,& Jerosimić, S.. (2019). Theoretical and experimental investigation of geometry and stability of small potassium‐iodide KnI(n=2–6) clusters. in International Journal of Quantum Chemistry, 119(22), e26009.
https://doi.org/10.1002/qua.26009

Milovanović B, Milovanović M, Veličković S, Veljković FM, Perić-Grujić AA, Jerosimić S. Theoretical and experimental investigation of geometry and stability of small potassium‐iodide KnI(n=2–6) clusters. in International Journal of Quantum Chemistry. 2019;119(22):e26009.
doi:10.1002/qua.26009 .

Milovanović, Branislav, Milovanović, Milan, Veličković, Suzana, Veljković, Filip M., Perić-Grujić, Aleksandra A., Jerosimić, Stanka, "Theoretical and experimental investigation of geometry and stability of small potassium‐iodide KnI(n=2–6) clusters" in International Journal of Quantum Chemistry, 119, no. 22 (2019):e26009,
https://doi.org/10.1002/qua.26009 . .

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  - CONF
AU  - Veljković, Filip M.
AU  - Mitić, Marko
AU  - Milovanović, Milan
AU  - Jerosimić, Stanka
AU  - Drakulić, Dunja R.
AU  - Veličković, Suzana
PY  - 2016
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9169
AB  - In current study,  a non-stoichiometric bromine-doped potassium K2Br+and K3Br+clusters  are  generated  by  combining  a  Knudsen  effusion  cell  as  a chemical  reactor  with  thermal  or  surface  ionization,and  selected  by  a magnetic  sector  mass  spectrometer.  Furthermore,  their  ionization  energies (IEs)  are  calculated  for  the  first  time  using  B3LYP/9-ve  PP(K),cc-pVTZ-PP(Br) level of theory. Herein, presented results indicate that experimentally obtained IEs by Ionov equation, 4.10 ± 0.20 eV for K2Br+, and 4.03 ± 0.20 eV for K3Br+, are in consistence with their theoretically determined IEs.
PB  - Society of Physical Chemists of Serbia
C3  - Physical chemistry 2016 : 13th international conference on fundamental and applied aspects of physical chemistry
T1  - Theoretical and experimental evaluation of K2Br+ and K3Br+ clusters' ionization energies
SP  - B-14-P
UR  - https://hdl.handle.net/21.15107/rcub_vinar_9169
ER  - 

@conference{
author = "Veljković, Filip M. and Mitić, Marko and Milovanović, Milan and Jerosimić, Stanka and Drakulić, Dunja R. and Veličković, Suzana",
year = "2016",
abstract = "In current study,  a non-stoichiometric bromine-doped potassium K2Br+and K3Br+clusters  are  generated  by  combining  a  Knudsen  effusion  cell  as  a chemical  reactor  with  thermal  or  surface  ionization,and  selected  by  a magnetic  sector  mass  spectrometer.  Furthermore,  their  ionization  energies (IEs)  are  calculated  for  the  first  time  using  B3LYP/9-ve  PP(K),cc-pVTZ-PP(Br) level of theory. Herein, presented results indicate that experimentally obtained IEs by Ionov equation, 4.10 ± 0.20 eV for K2Br+, and 4.03 ± 0.20 eV for K3Br+, are in consistence with their theoretically determined IEs.",
publisher = "Society of Physical Chemists of Serbia",
journal = "Physical chemistry 2016 : 13th international conference on fundamental and applied aspects of physical chemistry",
title = "Theoretical and experimental evaluation of K2Br+ and K3Br+ clusters' ionization energies",
pages = "B-14-P",
url = "https://hdl.handle.net/21.15107/rcub_vinar_9169"
}

Veljković, F. M., Mitić, M., Milovanović, M., Jerosimić, S., Drakulić, D. R.,& Veličković, S.. (2016). Theoretical and experimental evaluation of K2Br+ and K3Br+ clusters' ionization energies. in Physical chemistry 2016 : 13th international conference on fundamental and applied aspects of physical chemistry
Society of Physical Chemists of Serbia., B-14-P.
https://hdl.handle.net/21.15107/rcub_vinar_9169

Veljković FM, Mitić M, Milovanović M, Jerosimić S, Drakulić DR, Veličković S. Theoretical and experimental evaluation of K2Br+ and K3Br+ clusters' ionization energies. in Physical chemistry 2016 : 13th international conference on fundamental and applied aspects of physical chemistry. 2016;:B-14-P.
https://hdl.handle.net/21.15107/rcub_vinar_9169 .

Veljković, Filip M., Mitić, Marko, Milovanović, Milan, Jerosimić, Stanka, Drakulić, Dunja R., Veličković, Suzana, "Theoretical and experimental evaluation of K2Br+ and K3Br+ clusters' ionization energies" in Physical chemistry 2016 : 13th international conference on fundamental and applied aspects of physical chemistry (2016):B-14-P,
https://hdl.handle.net/21.15107/rcub_vinar_9169 .

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 . .

TY  - JOUR
AU  - Đustebek, Jasmina B.
AU  - Veličković, Suzana
AU  - Jerosimic, Stanka
AU  - Veljković, Miomir V.
PY  - 2011
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/4424
AB  - We report a combined experimental and theoretical investigation of small heterogeneous clusters of lithium iodide. Apparatus based on magnetic sector instrument, where Knudsen cell is placed into the ionization chamber, provides suitable conditions for the detection of both the ionic and neutral components of LinI (n = 2, 4, 6) clusters. The clusters Li4I and Li6I were detected experimentally for the first time. Ionization potentials determined by the electron impact ionization mass spectrometry were (4.69 +/- 0.25) eV for Li2I, (4.86 +/- 0.25) eV for Li4I and (4.96 +/- 0.25) eV for Li6I. The ionization potential of Li2I corresponds to previous experimental data obtained by thermal ionization mass spectrometry. The first theoretical data of the ionization potential and structure of the above mentioned clusters are presented in this work. A comparison with the experimental ionization potentials provides evidence for the theoretically calculated geometrical structures of the small heterogeneous clusters of lithium iodide.
T2  - Journal of Analytical Atomic Spectrometry
T1  - Mass spectrometric study of the structures and ionization potential of LinI (n=2, 4, 6) clusters
VL  - 26
IS  - 8
SP  - 1641
EP  - 1647
DO  - 10.1039/c1ja10078e
ER  - 

@article{
author = "Đustebek, Jasmina B. and Veličković, Suzana and Jerosimic, Stanka and Veljković, Miomir V.",
year = "2011",
abstract = "We report a combined experimental and theoretical investigation of small heterogeneous clusters of lithium iodide. Apparatus based on magnetic sector instrument, where Knudsen cell is placed into the ionization chamber, provides suitable conditions for the detection of both the ionic and neutral components of LinI (n = 2, 4, 6) clusters. The clusters Li4I and Li6I were detected experimentally for the first time. Ionization potentials determined by the electron impact ionization mass spectrometry were (4.69 +/- 0.25) eV for Li2I, (4.86 +/- 0.25) eV for Li4I and (4.96 +/- 0.25) eV for Li6I. The ionization potential of Li2I corresponds to previous experimental data obtained by thermal ionization mass spectrometry. The first theoretical data of the ionization potential and structure of the above mentioned clusters are presented in this work. A comparison with the experimental ionization potentials provides evidence for the theoretically calculated geometrical structures of the small heterogeneous clusters of lithium iodide.",
journal = "Journal of Analytical Atomic Spectrometry",
title = "Mass spectrometric study of the structures and ionization potential of LinI (n=2, 4, 6) clusters",
volume = "26",
number = "8",
pages = "1641-1647",
doi = "10.1039/c1ja10078e"
}

Đustebek, J. B., Veličković, S., Jerosimic, S.,& Veljković, M. V.. (2011). Mass spectrometric study of the structures and ionization potential of LinI (n=2, 4, 6) clusters. in Journal of Analytical Atomic Spectrometry, 26(8), 1641-1647.
https://doi.org/10.1039/c1ja10078e

Đustebek JB, Veličković S, Jerosimic S, Veljković MV. Mass spectrometric study of the structures and ionization potential of LinI (n=2, 4, 6) clusters. in Journal of Analytical Atomic Spectrometry. 2011;26(8):1641-1647.
doi:10.1039/c1ja10078e .

Đustebek, Jasmina B., Veličković, Suzana, Jerosimic, Stanka, Veljković, Miomir V., "Mass spectrometric study of the structures and ionization potential of LinI (n=2, 4, 6) clusters" in Journal of Analytical Atomic Spectrometry, 26, no. 8 (2011):1641-1647,
https://doi.org/10.1039/c1ja10078e . .