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Information on the principal investigator and host institution

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Quantum crystallography approach in the design of new materials with cocrystallisation-enhanced optical properties.

2018/30/E/ST5/00638

Keywords:

quantum crystallography crystal engineering optical materials topological analysis of electron density

Descriptors:

  • ST5_12: Methods of nanomaterials/materials synthesis
  • ST5_1: Structural properties of materials
  • ST5_19:

Panel:

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

Host institution :

Uniwersytet Jagielloński, Wydział Chemii

woj. małopolskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr hab. Marlena Gryl 

Number of co-investigators in the project: 5

Call: SONATA BIS 8 - announced on 2018-06-15

Amount awarded: 1 092 100 PLN

Project start date (Y-m-d): 2019-06-28

Project end date (Y-m-d): 2024-06-27

Project duration:: 48 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 (6)
  1. Unveiling the Impact of Aggregation on Optical Anisotropy of Triazaacephenanthrylene Single Crystals. A Combined Quantum Crystallography and Conceptual Density Functional Theory Approach
    Authors:
    Marlena Gryl,* Katarzyna Ostrowska, Jose Enrique Barquera-Lozada, and Katarzyna M. Stadnicka
    Academic press:
    J. Phys. Chem. A (rok: 2020, tom: 124, strony: 2931−2941), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpca.9b10651 - link to the publication
  2. Deciphering colour mechanisms in co-crystals and salts containing violuric acid and chosen L-amino acids
    Authors:
    A. Rydz, M. Gryl, K. Ostrowska, K. M. Stadnicka
    Academic press:
    Journal of Materials Chemistry C , Wydawca: Royal Society of Chemistry
    Status:
    Submitted
    DOI:
    brak - link to the publication
  3. New group of inorganic salts of 1,3-diaminoguanidinium(1+) cation –crystal structures, vibrational spectra, linear and nonlinear optical properties
    Authors:
    S. Kohútekova, I. Matulkova´, M. Zabranský, J. L. Martín, I. Císařrová, R. Gyepes, P. Němec, M. Gryl, T. Seidler, I. Němec*.
    Academic press:
    Journal of Solid State Chemistry (rok: 2023, tom: 327, strony: 124288), Wydawca: Science Direct
    Status:
    Published
    DOI:
    10.1016/j.jssc.2023.124288 - link to the publication
  4. Dimethylaniline based hybrid compounds of cadmium diiodide - synthesis, crystal structure and physical properties
    Authors:
    Duda, Michal; Gryl, Marlena; Miniewicz, Andrzej; Oszajca, Marcin; Seidler, Tomasz; Lasocha, Wieslaw
    Academic press:
    Crystal Growth Design (rok: 2022, tom: 22, strony: 4182-4191), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.cgd.2c00191 - link to the publication
  5. Effect of Substituent Exchange on Optical Anisotropy in Multicomponent Isostructural Materials Containing Sulfathiazole and 2‑Aminopyridine Derivatives
    Authors:
    Joanna Wojnarska, Marlena Gryl,* Tomasz Seidler, and Katarzyna M. Stadnicka
    Academic press:
    Crystal Growth & Design (rok: 2020, tom: 20, strony: 6535−6544), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.cgd.0c00743 - link to the publication
  6. Investigation of polar crystalline materials containing hydrochlorothiazide: electron density distribution and optical properties
    Authors:
    J. Wojnarska, M. Gryl, T. Seidler and K. M. Stadnicka
    Academic press:
    Acta Crystallographica B (rok: 2021, tom: B77, strony: 965-967), Wydawca: IUCr Journals
    Status:
    Published
    DOI:
    10.1107/S2052520621009914 - link to the publication

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