Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

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Novel explorations of bonding in diatomic van der Waals molecules: high resolution rotational spectroscopy and advanced ab initio calculations - probing sources of discrepancies

2015/17/B/ST4/04016

Keywords:

van der Waals molecules molecular rotations interatomic bonding molecular laser spectroscopy supersonic expansion molecular beam ab initio calculations of interatomic potentials quantum chemistry

Descriptors:

  • ST4_7: Electrochemistry, microfluidics in chemistry, sensors
  • ST4_1: Physical chemistry, chemical physics
  • ST4_15: Colloid chemistry

Panel:

ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development

Host institution :

Uniwersytet Jagielloński, Wydział Fizyki, Astronomii i Informatyki Stosowanej

woj. małopolskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

prof. Jarosław Koperski 

Number of co-investigators in the project: 7

Call: OPUS 9 - announced on 2015-03-16

Amount awarded: 799 620 PLN

Project start date (Y-m-d): 2016-02-03

Project end date (Y-m-d): 2020-02-02

Project duration:: 48 months (the same as in the proposal)

Project status: Project settled

Project description

Download the project description in a pdf file

Note - project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.

Equipment purchased [PL]

  1. Karta laboratoryjna ADwin-light-16 z oprogramowaniem (17 700 PLN)
  2. Zmodyfikowany moduł źródła wiązki naddźwiękowej (6 256 PLN)
  3. Stanowisko wiązki naddźwiękowej o pracy ciągłej (5 340 PLN)
  4. Pyroelektryczna głowica pomiarowa ES245C do konsoli pomiaru mocy i energii typu PM200, Thorlabs (8 200 PLN)

Information in the final report

  • Publication in academic press/journals (18)
  • Articles in post-conference publications (21)
  1. Determination of interatomic potentials for diatomic molecules from low resolution spectra
    Authors:
    T. Urbańczyk, J. Koperski, A. Pashov
    Academic press:
    Journal of Molecular Spectroscopy (rok: 2016, tom: 330, strony: 165-169), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.010 - link to the publication
  2. Isotopologue-selective excitation studied via optical-optical double resonance using the E3Σ1+(63S1)←A3Π0+(53P1)←X1Σ0+(51S0) transitions in CdAr and CdKr van der Waals complexes
    Authors:
    T. Urbańczyk, J. Dudek and J. Koperski
    Academic press:
    Journal of Quantitative Spectroscoscopy and Radiative Transfer (rok: 2018, tom: 212, strony: 32-38), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.jqsrt.2018.03.013 - link to the publication
  3. Interatomic potentials of van der Waals dimers Hg2 and Cd2: Probing discrepancies between theory and experiment
    Authors:
    T. Urbańczyk, M. Krośnicki, M. Strojecki, A. Pashov, A. Kędziorski, J. Koperski
    Academic press:
    Journal of Physics: Conference Series (rok: 2017, tom: 810, strony: 012018:1-5), Wydawca: Institute of Physics
    Status:
    Published
    DOI:
    10.1088/1742-6596/810/1/012018 - link to the publication
  4. The E3Σ1+(63S1)←A3Π0+(53P1) transition in CdAr revisited: The spectrum and new analysis of the E3Σ1+ Rydberg state interatomic potential
    Authors:
    T. Urbańczyk, M. Krośnicki, A. Kędziorski and J. Koperski
    Academic press:
    Spectrochim. Acta A: Mol. Biomol. Spectrosc. (rok: 2018, tom: 196, strony: 58-66), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.saa.2018.01.075 - link to the publication
  5. Deep neural network for fitting analytical potential energy curve of diatomic molecules from ro-vibrational spectra
    Authors:
    D. Horwat, M. Krośnicki, T. Urbańczyk, J. Koperski
    Academic press:
    Molecular Simulation (rok: 2021, tom: 47, strony: on-line), Wydawca: Taylor & Francis
    Status:
    Published
    DOI:
    10.1080/08927022.2021.1898606 - link to the publication
  6. Exploration of molecular ro-vibrational energy structure: on the perspective of Yb2 and Cd2 internal cooling, and 171Yb-version of Einstein-Podolsky-Rosen experiment
    Authors:
    T. Urbańczyk, M. Strojecki and J. Koperski
    Academic press:
    Molecular Physics (rok: 2018, tom: 116, strony: 3475-3486), Wydawca: Taylor and Francis
    Status:
    Published
    DOI:
    10.1080/00268976.2018.1439538 - link to the publication
  7. Genetic Algorithm for quick finding of diatomic molecule potential parameters
    Authors:
    T. Urbańczyk, J. Koperski
    Academic press:
    Molecular Simulation (rok: 2020, tom: 46, strony: 1073-1083), Wydawca: Taylor & Francis
    Status:
    Published
    DOI:
    10.1080/08927022.2020.1803493 - link to the publication
  8. Ro-vibrational cooling of diatomic molecules Cd2 and Yb2: rotational energy structure included
    Authors:
    T. Urbańczyk and J. Koperski
    Academic press:
    Molecular Physics (rok: 2020, tom: 118, strony: 1-10; present status: on-line published 2019-12-01), Wydawca: Taylor & Francis
    Status:
    Published
    DOI:
    10.1080/00268976.2019.1694712 - link to the publication
  9. Rydberg states of the CdAr van der Waals complex
    Authors:
    M. Krośnicki, A. Kędziorski, T. Urbańczyk, J. Koperski
    Academic press:
    Physical Review A (rok: 2019, tom: 99, strony: 052510:1-22; suppl. material pp. 1-17), Wydawca: American Physical Society
    Status:
    Published
    DOI:
    10.1103/PhysRevA.99.052510 - link to the publication
  10. The ambiguity in determination of interatomic potential of diatomic molecule
    Authors:
    T. Urbańczyk, J. Koperski, A. Pashov
    Academic press:
    Journal of Physics: Conference Series (rok: 2017, tom: 810, strony: 012041:1-3), Wydawca: Institute of Physics
    Status:
    Published
    DOI:
    10.1088/1742-6596/810/1/012041 - link to the publication
  11. Rotational characterization of the E3Σ+(63S1) Rydberg state of CdNe van der Waals complex via selective J-excitation in OODR proces
    Authors:
    T. Urbańczyk, J. Dudek, J. Koperski
    Academic press:
    Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , Wydawca: Elsevier
    Status:
    Submitted
    DOI:
    brak, - link to the publication
  12. Rydberg states of ZnAr complex
    Authors:
    A. Kędziorski, J.P. Zobel, M. Krośnicki, J. Koperski
    Academic press:
    Physical Review A , Wydawca: The American Physical Society
    Status:
    Submitted
    DOI:
    brak, - link to the publication
  13. Bound→free and bound→bound multichannel emission spectra from selectively excited Rydberg states in the ZnAr and CdAr van der Waals complexes
    Authors:
    J. Dudek, A. Kędziorski, J.P. Zobel, M. Krośnicki, T. Urbańczyk, K. Puczka, J. Koperski
    Academic press:
    Journal of Molecular Structure (rok: 2020, tom: 1222, strony: 128840), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.molstruc.2020.128840 - link to the publication
  14. Interatomic potentials of metal dimers: probing agreement between experiment and advanced ab initio calculations for van der Waals dimer Cd2
    Authors:
    T. Urbańczyk, M. Strojecki, M. Krośnicki, A. Kędziorski, P. Żuchowski, J. Koperski
    Academic press:
    International Reviews in Physical Chemistry (rok: 2017, tom: 36, strony: 541-620), Wydawca: Taylor and Francis
    Status:
    Published
    DOI:
    10.1080/0144235X.2017.1337371 - link to the publication
  15. Observation of gerade Rydberg state of Cd2 van der Waals complex cooled in free-jet expansion beam and excited using optical-optical double resonance method
    Authors:
    T. Urbańczyk, M. Krośnicki, J. Koperski
    Academic press:
    Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy (rok: 2021, tom: 253, strony: 119500), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.saa.2021.119500 - link to the publication
  16. Spectroscopy of CdKr van der Waals complex using OODR process: New determination of the E3Σ+1(5s6s 3S1) Rydberg state potential
    Authors:
    T. Urbańczyk, J. Koperski
    Academic press:
    Chemical Physics (rok: 2019, tom: 525, strony: 110406:1-7), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.chemphys.2019.110406 - link to the publication
  17. High-temperature continuous molecular beam source for aggressive elements: an example of zinc
    Authors:
    J. Dudek, K. Puczka, T. Urbańczyk, J. Koperski
    Academic press:
    Review of Scientific Instruments (rok: 2019, tom: 90, strony: 115109:1-5), Wydawca: American Institute of Physics Publishing
    Status:
    Published
    DOI:
    10.1063/1.5127809 - link to the publication
  18. Neural networks and determination of diatomic molecule interatomic potential of cadmium dimer
    Authors:
    T . Urbańczyk and J. Koperski
    Academic press:
    Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy (rok: 2018, tom: 189, strony: 502-509), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.saa.2017.08.047 - link to the publication
  1. Diatomic molecules in supersonic expansion beam experiment – from separation of overlapped profiles to determination of intermolecular potential
    Authors:
    T. Urbańczyk, J. Koperski
    Conference:
    24th International Conference on High Resolution Molecular Spectroscopy, Prague (rok: 2016, ), Wydawca: University of Chemistry and Technology Press, Prague, Czech Republik
    Data:
    konferencja 30 August-3 September
    Status:
    Published
  2. Optical-optical double resonance spectroscopy of CdAr van der Waals dimers produced in pulsed supersonic molecular beam source
    Authors:
    T. Urbańczyk and J. Koperski
    Conference:
    XIVth International Conference on Molecular Spectroscopy: from Molecules to Functional Materials, Białka Tatrzańska (rok: 2017, ), Wydawca: AGH University of Science and Technology
    Data:
    konferencja 3-7 September
    Status:
    Published
  3. Ro-vibrational cooling of diatomic molecules
    Authors:
    T. Urbańczyk and J. Koperski
    Conference:
    50th EGAS Conference (rok: 2018, ), Wydawca: WFAIS Uniwersytet Jagielloński w Krakowie
    Data:
    konferencja 9-13 July
    Status:
    Published
  4. Software development for an alexandrite laser-seeded-diode laser: rotational spectroscopy of the A10u+(51P1)←X10g+(51S0) transition in Cd2
    Authors:
    K. Puczka, T. Urbańczyk and J. Koperski
    Conference:
    Horyzonty Nauki 2018: Forum prac dyplomowych (Horizonas of Science 2018: Forum of Diploma Theses) (rok: 2018, ), Wydawca: WChemii, WFAIS WBBB Uniwersytet Jagielloński w Krakowie
    Data:
    konferencja 22-23 May
    Status:
    Published
  5. Van der Waals molecules consisting of aggressive element Zn: towards high resolution
    Authors:
    J. Dudek, T. Urbańczyk, K. Puczka, J. Koperski
    Conference:
    The 26th Colloquium on High Resolution Molecular Spectroscopy (rok: 2019, ), Wydawca: Universite Bourgogne Franche-Comte
    Data:
    konferencja 26-30 August
    Status:
    Published
  6. Vibrational spectra of the E3+(63S1)←A30+(53P1) transition in CdRg van der Waals complexes produced using pulsed supersonic beam source
    Authors:
    T. Urbańczyk and J. Koperski
    Conference:
    The 25th Colloquium on High-Resolution Molecular Spectroscopy, Helsinki (rok: 2017, ), Wydawca: University of Helsinki
    Data:
    konferencja 20-25 August
    Status:
    Published
  7. Ambiguity in determination of interatomic potential of diatomic molecule
    Authors:
    T. Urbańczyk, J. Koperski, A. Pashov
    Conference:
    12th ECAMP European Conference on Atoms, Molecules and Photons, Frankfurt (rok: 2016, ), Wydawca: Goethe Universitaet, Frankfurt am Main, Germany
    Data:
    konferencja 5-9 September
    Status:
    Published
  8. Interatomic potentials of 12-group van der Waals dimers: Probing discrepancies between theory and experiment
    Authors:
    T. Urbańczyk, M. Krośnicki, M. Strojecki, A. Pashov, A. Kędziorski, J. Koperski
    Conference:
    23rd International Conference on Spectral Line Shapes, Toruń (rok: 2016, ), Wydawca: Institute of Physics, UMK, Torun, Poland
    Data:
    konferencja 19-24 June
    Status:
    Published
  9. LIF excitation and emission spectra of CdAr van der Waals complex: Novel possibilities
    Authors:
    J. Dudek, T. Urbańczyk and J. Koperski
    Conference:
    50th EGAS Conference (rok: 2018, ), Wydawca: WFAIS Uniwersytet Jagielloński w Krakowie
    Data:
    konferencja 9-13 July
    Status:
    Published
  10. Neutral Network in determination of interatomic potential of diatomic molecule
    Authors:
    T. Urbańczyk and J. Koperski
    Conference:
    The 25th Colloquium on High-Resolution Molecular Spectroscopy, Helsinki (rok: 2017, ), Wydawca: University of Helsinki
    Data:
    konferencja 20-25 August
    Status:
    Published
  11. Spectroscopy of molecular Rydberg states using OODR: LIF excitation and emission spectra of ZnAr based on experimental and ab-initio calculated potentials
    Authors:
    J. Dudek, T. Urbańczyk, M. Krośnicki, A. Kędziorski, J. Koperski
    Conference:
    13th European Conference on Atoms, Molecules and Photons, ECAMP (rok: 2019, ), Wydawca: European Physical Society
    Data:
    konferencja 8-12 April
    Status:
    Published
  12. Supersonic molecular beam source-module for molecules consisting of highly aggressive elements
    Authors:
    T. Urbańczyk, J. Dudek, J. Koperski
    Conference:
    The 26th Colloquium on High Resolution Molecular Spectroscopy (rok: 2019, ), Wydawca: Universite Bourgogne Franche-Comte
    Data:
    konferencja 26-30 August
    Status:
    Published
  13. Transition dipole moment and the ambiguity of determination of interatomic potential in diatomic molecule
    Authors:
    T. Urbańczyk, J. Koperski, A. Pashov
    Conference:
    23rd International Conference on Spectral Line Shapes, Toruń (rok: 2016, ), Wydawca: Institute of Physics, UMK, Torun, Poland
    Data:
    konferencja 19-24 June
    Status:
    Published
  14. Software development for an alexandrite laser-seeded-diode laser: rotational spectroscopy of the A10u+(51P1)←X10g+(51S0) transition in Cd2
    Authors:
    K. Puczka, T. Urbańczyk and J. Koperski
    Conference:
    50th EGAS Conference (rok: 2018, ), Wydawca: WFAIS Uniwersytet Jagielloński w Krakowie
    Data:
    konferencja 9-13 July
    Status:
    Published
  15. Spectroscopy of CdRg complexes using OODR method: New analysis of the E3Σ+1_out(63S1) Rydberg state potential in CdKr
    Authors:
    T. Urbańczyk and J. Koperski
    Conference:
    50th EGAS Conference (rok: 2018, ), Wydawca: WFAIS Uniwersytet Jagielloński w Krakowie
    Data:
    konferencja 9-13 July
    Status:
    Published
  16. "Panaceum" na wysoko wzbudzone stany elektronowe - od atomu przez cząsteczkę dwuatomową do domieszki w ciele stałym
    Authors:
    M. Krośnicki
    Conference:
    XLV Zjazd Fizyków Polskich (rok: 2019, ), Wydawca: Oddział Krakowski Polskiego Towarzystwa Fizycznego
    Data:
    konferencja 13-18 września
    Status:
    Published
  17. Exploration of ro-vibrational energy structure in Cd2, Hg2 and Yb2: on the perspective of internal cooling and EPR experiment
    Authors:
    J. Koperski and T. Urbańczyk
    Conference:
    The 25th Colloquium on High-Resolution Molecular Spectroscopy, Helsinki (rok: 2017, ), Wydawca: University of Helsinki
    Data:
    konferencja 20-25 August
    Status:
    Published
  18. Spectroscopic diagnostics of molecular beam containing highly aggressive elements: LIF excitation and emission spectra
    Authors:
    J. Dudek, K. Puczka, T. Urbańczyk, J. Koperski
    Conference:
    XVth International Conference on Molecular Spectroscopy (rok: 2019, ), Wydawca: Institute of Low Temperature and Structure Research of the Polish Academy of Sciences, Wrocław
    Data:
    konferencja 15-19 September
    Status:
    Published
  19. Understanding of van der Waals interactions – from theoretical study towards emission spectra originated from the E31(63S1) Rydberg state of CdAr complex
    Authors:
    J. Dudek, T. Urbańczyk and J. Koperski
    Conference:
    XIII Rzeszowska Konferencja Młodych Fizyków (rok: 2018, ), Wydawca: Uniwersytet Rzeszowski
    Data:
    konferencja 7-8 June
    Status:
    Published
  20. Cd2 and Hg2 Interatomic Potentials: a Test-Bed" for Theory-to-Experiment Agreement
    Authors:
    T. Urbańczyk, M. Krośnicki, M. Strojecki, A. Pashov, A. Kędziorski, J. Koperski
    Conference:
    12th ECAMP European Conference on Atoms, Molecules and Photons, Frankfurt (rok: 2016, ), Wydawca: Goethe Universitaet, Frankfurt am Main, Germany
    Data:
    konferencja 5-9 September
    Status:
    Published
  21. Simulation of emission from high Rydberg states in CdAr van der Waals complex
    Authors:
    J. Dudek, T. Urbańczyk, M. Krośnicki, A. Kędziorski, and J. Koperski
    Conference:
    4th MOLIM COST Training School: Bridging experiment and theory in precision spectroscopy (rok: 2018, ), Wydawca: Nicolaus Copernicus University in Toruń
    Data:
    konferencja 26-30 June
    Status:
    Published

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