Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

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The information-entropy origins of chemical aromaticity: theory and applications

2021/42/E/ST4/00332

Keywords:

Aromaticity chemical resonance entropy quantum information theory molecular excited states singlet fission.

Descriptors:

  • ST4_004:

Panel:

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

Host institution :

Uniwersytet Jagielloński, Wydział Chemii

woj. małopolskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr Dariusz Wojciech Szczepanik 

Number of co-investigators in the project: 5

Call: SONATA BIS 11 - announced on 2021-06-15

Amount awarded: 2 072 274 PLN

Project start date (Y-m-d): 2022-05-04

Project end date (Y-m-d): 2028-05-03

Project duration:: 72 months (the same as in the proposal)

Project status: Pending project

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 (10)
  1. Reply to the 'Comment on Designing potentially singlet fission materials with an anti-Kasha behaviour' by K. Jindal, A. Majumdar and R. Ramakrishnan, Phys. Chem. Chem. Phys., 2025, 27, DOI: 10.1039/D4CP02863E
    Authors:
    R. Pino-Rios, R. Baez-Grez, D.W. Szczepanik, M. Solà
    Academic press:
    Physical Chemistry Chemical Physics (rok: 2025, tom: 27, strony: 4973-4975), Wydawca: Royal Society of Chemistry (RSC)
    Status:
    Published
    DOI:
    10.1039/D4CP04691A - link to the publication
  2. Designing potentially singlet fission materials with an anti-Kasha behaviour
    Authors:
    R. Pino-Rios, R. Baez-Grez, D.W. Szczepanik, M. Solà
    Academic press:
    Physical Chemistry Chemical Physics (rok: 2024, tom: 26, strony: 15386-15392), Wydawca: Royal Society of Chemistry (RSC)
    Status:
    Published
    DOI:
    10.1039/d4cp01284d - link to the publication
  3. Bonding in a Crystalline Tri-Thorium Cluster: Not σ-Aromatic But Still Unique
    Authors:
    Dariusz W. Szczepanik
    Academic press:
    Angewandte Chemie International Edition (rok: 2022, tom: 61, strony: e202204337), Wydawca: Wiley
    Status:
    Published
    DOI:
    10.1002/anie.202204337 - link to the publication
  4. Inverted azolophanes: alternant o-heteroarene/p-arene macrocycles
    Authors:
    Y.-H. Lin, X. Wang, D.W. Szczepanik, P.A. Wieczorkiewicz, O.S. Miljanic
    Academic press:
    Chemical Science (rok: 2025, tom: 16, strony: 19967-19972), Wydawca: Royal Society of Chemistry (RSC)
    Status:
    Published
    DOI:
    10.1039/D5SC05981J - link to the publication
  5. Metalla-Carbaporphyrinoids Consisting of an Acyclic N-Confused Tetrapyrrole Analogue Served as Stable Near-Infrared-II Dyes
    Authors:
    B. Basumatary, H. Tsuruda, D.W. Szczepanik, J. Lee, J. Ryu, S. Mori, K. Yamagata, T. Tanaka, A. Muranaka, M. Uchiyama, J. Kim, M. Ishida, H. Furuta
    Academic press:
    Angewandte Chemie International Edition (rok: 2024, tom: 63, strony: e202405059), Wydawca: Wiley
    Status:
    Published
    DOI:
    10.1002/anie.202405059 - link to the publication
  6. Cibalackrot-type compounds: Stable singlet fission materials with aromatic ground state and excited state
    Authors:
    Weixuan Zeng, Dariusz W. Szczepanik, Hugo Bronstein
    Academic press:
    Journal of Physical Organic Chemistry (rok: 2023, tom: 36, strony: e4441), Wydawca: Wiley
    Status:
    Published
    DOI:
    10.1002/poc.4441 - link to the publication
  7. A multifunctional pseudo-[6]oxocarbon molecule innate to six accessible oxidation states
    Authors:
    P. Pakulski, M. Magott, S. Chorazy, M. Sarewicz, M. Srebro-Hooper, D. Tabor, Ł. Łapok, D.W. Szczepanik, S. Demir, D. Pinkowicz
    Academic press:
    Chem (rok: 2024, tom: 10, strony: 971-997), Wydawca: Cell Press
    Status:
    Published
    DOI:
    10.1016/j.chempr.2023.12.024 - link to the publication
  8. The curious case of the crystalline tri-thorium cluster: cyclic delocalization without aromatic stabilization?
    Authors:
    Dariusz W. Szczepanik
    Academic press:
    RSC Advances (rok: 2023, tom: 13, strony: 34224-34229), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/D3RA06603G - link to the publication
  9. Molecular aromaticity: a quantum phenomenon
    Authors:
    M. Solà, D. W. Szczepanik
    Academic press:
    Pure and Applied Chemistry (rok: 2025, tom: 97, strony: 1149-1157), Wydawca: De Gruyter Brill
    Status:
    Published
    DOI:
    10.1515/pac-2025-0465 - link to the publication
  10. Isolation of an Annulated 1,4-Distibabenzene Diradicaloid
    Authors:
    Henric Steffenfauseweh, Dr. Dennis Rottschäfer, Dr. Yury V. Vishnevskiy, Beate Neumann, Dr. Hans-Georg Stammler, Dr. Dariusz W. Szczepanik, Priv.-Doz. Dr. Rajendra S. Ghadwal
    Academic press:
    Angewandte Chemie International Edition (rok: 2023, tom: 62, strony: e202216003), Wydawca: Wiley
    Status:
    Published
    DOI:
    10.1002/anie.202216003 - link to the publication

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