Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

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Hund's Rule Violating Molecules as Precursors of New Optoelectronic Materials

2020/39/B/ST4/01723

Keywords:

organic molecules singlet-triplet inversion light emitting diodes ab initio computations

Descriptors:

  • ST4_4: Theoretical and computational chemistry
  • ST2_7: Atomic and molecular physics

Panel:

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

Host institution :

Instytut Fizyki Polskiej Akademii Nauk

woj.

Other projects carried out by the institution 

Principal investigator (from the host institution):

prof. Andrzej Ludwik Sobolewski 

Number of co-investigators in the project: 4

Call: OPUS 20 - announced on 2020-09-15

Amount awarded: 671 720 PLN

Project start date (Y-m-d): 2021-07-02

Project end date (Y-m-d): 2025-02-01

Project duration:: 43 months (the same as in the proposal)

Project status: Project completed

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.

Information in the final report

  • Publication in academic press/journals (7)
  1. Photochemical Hydrogen Storage with Hexaazatrinaphthylene
    Authors:
    Olaf Morawski, Paweł Gawryś, Jarosław Sadło, and Andrzej L. Sobolewski
    Academic press:
    ChemPhysChem (rok: 2022, tom: 2022, strony: 45666), Wydawca: Wiley-VCH GmbH
    Status:
    Published
    DOI:
    10.1002/cphc.202200077 - link to the publication
  2. Photochemical Hydrogen Storage with Hexaazatrinaphthylene
    Authors:
    Olaf Morawski, Paweł Gawryś, Jarosław Sadło, and Andrzej L. Sobolewski
    Academic press:
    ChemPhysChem (rok: 2022, tom: 2022, strony: 45666), Wydawca: Wiley-VCH GmbH
    Status:
    Published
    DOI:
    10.1002/cphc.202200077 - link to the publication
  3. Harnessing Proton-Coupled Electron Transfer for Hydrogenation of Aza-Arenes: Photochemistry of Quinoxaline Derivatives in Methanol
    Authors:
    Olaf W. Morawski, Paweł Gawryś, Andrzej L. Sobolewski
    Academic press:
    J. Physical Chemistry A (rok: 2023, tom: 127, strony: 8871-8881), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpca.3c05077 - link to the publication
  4. Excited-state singlet-triplet inversion in hexagonal aromatic and heteroaromatic compounds
    Authors:
    Andrzej L. Sobolewski, Wolfgang Domcke
    Academic press:
    Physical Chemistry Chemical Physics (rok: 2023, tom: 25, strony: 21857-21882), Wydawca: ROYAL SOC CHEMISTRY
    Status:
    Published
    DOI:
    10.1039/d3cp01666h - link to the publication
  5. Are Heptazine-Based Organic Light-Emitting Diode Chromophores Thermally Activated Delayed Fluorescence or Inverted Singlet− Triplet Systems?
    Authors:
    Andrzej L. Sobolewski, Wolfgang Domcke
    Academic press:
    The Journal of Physical Chemistry Letters (rok: 2021, tom: 12, strony: 6852-6860), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpclett.1c01926 - link to the publication
  6. Photo-Oxidation of Methanol in a Complex with Pyrido[2,3-b]pyrazine: a Nonadiabatic Molecular Dynamics Study
    Authors:
    Joanna Jankowska, Andrzej L. Sobolewski
    Academic press:
    Physical Chemistry Chemical Physics (rok: 2024, tom: 26, strony: 5296-5302), Wydawca: Royal Chemical Siciety
    Status:
    Published
    DOI:
    10.1039/d3cp04148d - link to the publication
  7. Are Heptazine-Based Organic Light-Emitting Diode Chromophores Thermally Activated Delayed Fluorescence or Inverted Singlet− Triplet Systems?
    Authors:
    Andrzej L. Sobolewski, Wolfgang Domcke
    Academic press:
    The Journal of Physical Chemistry Letters (rok: 2021, tom: 12, strony: 6852-6860), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpclett.1c01926 - link to the publication

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