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Theoretical design and prediction of phosphorescent emissive materials based on halogen bonding interactions and experimental verification of their properties.

2020/37/B/ST5/02638

Keywords

Descriptors

  • ST5_002: Materiały o strukturze ciała stałego
  • ST4_004: Chemia teoretyczna i obliczeniowa
  • ST4_013: Chemia ciała stałego, fizykochemia powierzchni

Panel

ST5 – Materials: materials synthesis, structure-properties relations, advanced and functional materials with designed properties, (macro)molecular architecture, material engineering

Host institution

Uniwersytet Warszawski, Wydział Chemii

Voivodeship: mazowieckie

Other projects carried out by the institution »

Principal investigator (from the host institution)

dr Mihails Arhangelskis

Number of co-investigators in the project: 3

Call

OPUS 19 – announced on 2020-03-16

Amount awarded
1 465 200 PLN
Project start date
2021-01-15
Project end date
2025-08-14
Project duration
55 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.

Information in the final report

Publication in academic press/journals (12)

  1. Computational evaluation of halogen-bonded cocrystals enables prediction of their mechanochemical interconversion reactions

    Authors:
    Lavanya Kumar, Katarina Leko, Vinko Nemec,Damian Trzybiński, Nikola Bregović, Dominik Cinčić, Mihails Arhangelskis
    Academic press:
    Chemical Science (year: 2023, volume: 14, pages: 3140-3146), Publisher: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/D2SC06770F – link to the publication

  2. Mechanochemical Cis/Trans Isomerization of a Metal Centre Involving a Metal‐Organic Halogen‐Bonded (MOXB) Cocrystal

    Authors:
    Lisac, Katarina Germann, Luzia S Arhangelskis, Mihails Etter, Martin Dinnebier, Robert E Friščić, Tomislav Cinčić, Dominik
    Academic press:
    Angewandte Chemie International Edition (year: 2025, volume: e202517004, pages: 46029), Publisher: Wiley
    Status:
    Published
    DOI:
    10.1002/anie.202517004 – link to the publication

  3. Terahertz-Raman spectroscopy for in situ benchtop monitoring of changes to extended, supramolecular structure in milling mechanochemistry

    Authors:
    Tristan H. Borchers, Filip Topić, Mihails Arhangelskis, Michael Ferguson, Cameron B. Lennox, Patrick A. Julien, Tomislav Friščić
    Academic press:
    Chem (year: 2025, volume: 11, pages: 102319), Publisher: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.chempr.2024.09.018 – link to the publication

  4. Competitive Mechanochemical Solvate Formation of Theophylline in the Presence of Miscible Liquid Mixtures

    Authors:
    Ilenia D'Abbrunzo; Martina Spadaro; Mihails Arhangelskis ; Guglielmo Zingone; Dritan Hasa; Beatrice Perissutti
    Academic press:
    Crystal Growth & Design (year: 2023, volume: 23, pages: 8094-8102), Publisher: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.cgd.3c00834 – link to the publication

  5. Polymorph II of hydroxyurea 150 years after its first synthesis

    Authors:
    Sunil K. Rai, Srinu Tothadi, Mihails Arhangelskis, Rajesh G. Gonnade, Ashwini K. Nangia
    Academic press:
    CrystEngComm (year: 2023, volume: 25, pages: 2712-2716), Publisher: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/D3CE00163F – link to the publication

  6. Illuminating milling mechanochemistry by tandem real-time fluorescence emission and Raman spectroscopy monitoring

    Authors:
    Patrick A. Julien, Mihails Arhangelskis, Luzia S. Germann, Martin Etter, Robert E. Dinnebier, Andrew J. Morris, Tomislav Friščić
    Academic press:
    Chemical Science (year: 2023, volume: 14, pages: 12121-12132), Publisher: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/D3SC04082H – link to the publication

  7. Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures

    Authors:
    Jogirdas Vainauskas, Tristan H. Borchers, Mihails Arhangelskis, Laura J. McCormick McPherson, Toni S. Spilfogel, Ehsan Hamzehpoor, Filip Topić, Simon J. Coles, Dmytro F. Perepichka, Christopher J. Barrett, Tomislav Friščić
    Academic press:
    Chemical Science (year: 2023, volume: 14, pages: 13031-13041), Publisher: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/D3SC04191C – link to the publication

  8. Terahertz-Raman spectroscopy for in situ benchtop monitoring of changes to extended, supramolecular structure in milling mechanochemistry

    Authors:
    Tristan H. Borchers 1, Filip Topić 2, Mihails Arhangelskis 3, Michael Ferguson 1, Cameron B. Lennox, Patrick A. Julien, Tomislav Friščić
    Academic press:
    Chem (year: 2025, volume: 11, pages: 102319), Publisher: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.chempr.2024.09.018 – link to the publication

  9. Perhalogenated Anilines as Bifunctional Donors of Hydrogen and Halogen Bonds in Cocrystals with Ditopic Nitrogen-Containing Acceptors

    Authors:
    Nea Baus Topić, Sibananda G. Dash, Edi Topić, Mihails Arhangelskis, Dominik Cinčić
    Academic press:
    Crystal Growth & Design (year: 2024, volume: 24, pages: 5078-5088), Publisher: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.cgd.4c00315 – link to the publication

  10. Elucidating mechanochemical reactivity of a ternary halogen-bonded cocrystal system by computational and calorimetric studies

    Authors:
    Lavanya Kumar ,Sibananda Gourisankar Dash ,Katarina Leko ,Damian Trzybiński ,Nikola Bregović ,Dominik Cinčić ,Mihails Arhangelskis
    Academic press:
    Physical Chemistry Chemical Physics (year: 2023, volume: 25, pages: 28576-28580), Publisher: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/D3CP04358D – link to the publication

  11. Three-in-One: Dye-Volatile Cocrystals Exhibiting Intensity-Dependent Photochromic, Photomechanical, and Photocarving Response

    Authors:
    Tristan H. Borchers, Filip Topić, Mihails Arhangelskis, Jogirdas Vainauskas, Hatem M. Titi, Oleksandr S. Bushuyev, Christopher J. Barrett, Tomislav Friščić
    Academic press:
    Journal of the American Chemical Society (year: 2023, volume: 145, pages: 24636 - 24647), Publisher: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/jacs.3c07060 – link to the publication

  12. Experimentally derived charge density of halogen bonds to heavy pnictogens: revealing electronic structure and validating DFT approaches

    Authors:
    Lavanya Kumar, Sibananda G. Dash, Maura Malinska, Dominik Cinčić, Mihails Arhangelskis
    Status:
    Accepted for publication

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