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

2021/42/E/ST4/00332

Keywords

Descriptors

  • ST4_004: Chemia teoretyczna i obliczeniowa

Panel

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

Host institution

Uniwersytet Jagielloński, Wydział Chemii

Voivodeship: 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
2022-05-04
Project end date
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. 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 (year: 2024, volume: 26, pages: 15386-15392), Publisher: Royal Society of Chemistry (RSC)
    Status:
    Published
    DOI:
    10.1039/d4cp01284d – link to the publication

  2. 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 (year: 2024, volume: 10, pages: 971-997), Publisher: Cell Press
    Status:
    Published
    DOI:
    10.1016/j.chempr.2023.12.024 – link to the publication

  3. 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 (year: 2024, volume: 63, pages: e202405059), Publisher: Wiley
    Status:
    Published
    DOI:
    10.1002/anie.202405059 – link to the publication

  4. 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 (year: 2025, volume: 27, pages: 4973-4975), Publisher: Royal Society of Chemistry (RSC)
    Status:
    Published
    DOI:
    10.1039/D4CP04691A – link to the publication

  5. 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 (year: 2023, volume: 36, pages: e4441), Publisher: Wiley
    Status:
    Published
    DOI:
    10.1002/poc.4441 – link to the publication

  6. 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 (year: 2023, volume: 62, pages: e202216003), Publisher: Wiley
    Status:
    Published
    DOI:
    10.1002/anie.202216003 – link to the publication

  7. Bonding in a Crystalline Tri-Thorium Cluster: Not σ-Aromatic But Still Unique

    Authors:
    Dariusz W. Szczepanik
    Academic press:
    Angewandte Chemie International Edition (year: 2022, volume: 61, pages: e202204337), Publisher: Wiley
    Status:
    Published
    DOI:
    10.1002/anie.202204337 – 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 (year: 2023, volume: 13, pages: 34224-34229), Publisher: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/D3RA06603G – link to the publication

  9. 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 (year: 2025, volume: 16, pages: 19967-19972), Publisher: Royal Society of Chemistry (RSC)
    Status:
    Published
    DOI:
    10.1039/D5SC05981J – link to the publication

  10. Molecular aromaticity: a quantum phenomenon

    Authors:
    M. Solà, D. W. Szczepanik
    Academic press:
    Pure and Applied Chemistry (year: 2025, volume: 97, pages: 1149-1157), Publisher: De Gruyter Brill
    Status:
    Published
    DOI:
    10.1515/pac-2025-0465 – link to the publication

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