Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

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Researches on application of aromatic N-oxides in crystal engineering

2015/19/B/ST4/01773

Keywords:

N-oxide nitrogen-oxygen bond (NO) intermolecular interactions crystal structure molecular complex cocrystal

Descriptors:

  • ST4_4: Theoretical and computational chemistry

Panel:

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

Host institution :

Uniwersytet Łódzki, Wydział Chemii

woj. łódzkie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr hab. Marcin Palusiak 

Number of co-investigators in the project: 5

Call: OPUS 10 - announced on 2015-09-15

Amount awarded: 357 600 PLN

Project start date (Y-m-d): 2016-06-23

Project end date (Y-m-d): 2020-01-22

Project duration:: 43 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.

Equipment purchased [PL]

  1. Stereomikroskop polaryzacyjny wyposażony w płytę grzewczą wraz z dodatkowym oprzyrządowaniem (50 000 PLN)
  2. urządzenie mobilne - tablet (916 PLN)
  3. Komputer typu PC (licencje Windows 8, Microsoft Office) z oprzyrządowaniem (bezprzewodowa klawiatura + monitor 24" + kamera) współpracujący ze stereomikroskopem (5 000 PLN)
  4. Robocze stanowisko komputerowe bazujące na stacji przenośnej typu notebook z oprzyrządowaniem (notebook + monitor 24''+ bezprzewodowa klawiatura+ drukarka laserowa + licencje Windows 8 i Microsoft Office) (2 szt.) (14 138 PLN)
  5. 3 komputery typu PC, licencje Windows 10 Pro, z oprzyrządowaniem (6 120 PLN)
  6. Komputer typu PC (licencje Windows 7, Microsoft Office) z oprzyrządowaniem (bezprzewodowa klawiatura + monitor 24" + kolorowa drukarka laserowa) (7 000 PLN)

Information in the final report

  • Publication in academic press/journals (9)
  1. C-Br􏰀...􏰀S halogen bonds in novel thiourea N-oxide cocrystals: analysis of energetic and QTAIM para- meters
    Authors:
    Kinga Wzgarda-Raj, Agnieszka Rybarczyk-Pirek, Sławomir Wojtulewski, Marcin Palusiak
    Academic press:
    Acta Crystallographica C (rok: 2020, tom: C76, strony: 170-176), Wydawca: International Union of Crystallography
    Status:
    Published
    DOI:
    10.1107/S2053229620000947 - link to the publication
  2. Crystal structure of 3,6-bis(pyridin-2-yl)-1,4-dihydro-1,2,4,5-Tetrazine
    Authors:
    Kinga Wzgarda-Raj, Agnieszka Rybarczyk-Pirek, Sławomir Wojtulewski, Marcin Palusiak
    Academic press:
    Acta Crystallographica Section E (rok: 2019, tom: E75, strony: 86-88), Wydawca: International Union of Crystallography
    Status:
    Published
    DOI:
    10.1107/S205698901801753X - link to the publication
  3. Does Proton Transfer Always Take Place in Molecules of 2-Substituted Pyridine- N-oxides? the Case of 2-Aminopyridine- N-oxide Crystal Structure and Its 3,5-Dinitrobenzoic Acid Co-crystal
    Authors:
    Agnieszka Rybarczyk-Pirek, Marlena Łukomska-Rogala, Kinga Wzgarda-Raj, Sławomir Wojtulewski, Marcin Palusiak
    Academic press:
    Crystal Growth and Design (rok: 2018, tom: 18, strony: 7373-7382), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.cgd.8b01057 - link to the publication
  4. Oxidation of 2-mercaptopyridine N-oxide upon iodine agent: structural and FT-IR studies on charge-assisted hydrogen bonds CAHB(+) and I…I halogen interactions in 2,2′-dithiobis(pyridine N-oxide) ionic cocrystal
    Authors:
    Kinga Wzgarda-Raj, Agnieszka Rybarczyk-Pirek, Sławomir Wojtulewski, Marcin Palusiak
    Academic press:
    Structural Chemistry (rok: 2019, tom: 30, strony: 827-833), Wydawca: Springer
    Status:
    Published
    DOI:
    10.1007/s11224-019-1290-x - link to the publication
  5. Tuning Aromaticity of para-Substituted Benzene Derivatives with an External Electric Field
    Authors:
    Justyna Dominikowska, Marcin Palusiak
    Academic press:
    ChemPhysChem (rok: 2018, tom: 19, strony: 590-595), Wydawca: Wiley
    Status:
    Published
    DOI:
    10.1002/cphc.201701203 - link to the publication
  6. N-Oxide–N-oxide interactions and Cl Cl halogen bonds in pentachloropyridine N-oxide: the many- body approach to interactions in the crystal state
    Authors:
    Kinga Wzgarda-Raj, Agnieszka J. Rybarczyk-Pirek, Sławomir Wojtulewski, Marcin Palusiak
    Academic press:
    Acta Crystallographica C (rok: 2018, tom: C74, strony: 113-119), Wydawca: International Union of Crystallography
    Status:
    Published
    DOI:
    10.1107/S2053229617017922 - link to the publication
  7. Use of Quantum Theory of Atoms in Molecules in the Search for Appropriate Hydrogen Atom Locations in X-ray Diffraction Based Studies
    Authors:
    Agnieszka J. Rybarczyk-Pirek, Magdalena Małecka, Marcin Palusiak
    Academic press:
    Crystal Growth and Design (rok: 2016, tom: 16, strony: 6841-6848), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.cgd.6b00943 - link to the publication
  8. Extremely Strong Halogen Bond. the Case of a Double-Charge-Assisted Halogen Bridge
    Authors:
    Małgorzata Domagała, Aneta Lutyńska, Marcin Palusiak
    Academic press:
    Journal of Physical Chemistry A (rok: 2018, tom: 122, strony: 5484-5492), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpca.8b03735 - link to the publication
  9. Non-covalent interactions of N-phenyl-1,5-dimethyl-1H-imidazole-4-carboxamide 3-oxide derivatives—a case of intramolecular N-oxide hydrogen bonds
    Authors:
    Marlena Łukomska-Rogala, Agnieszka J. Rybarczyk-Pirek, Krzysztof Ejsmont, Marcin Jasiński, Marcin Palusiak
    Academic press:
    Structural Chemistry (rok: 2017, tom: 28, strony: 1229-1241), Wydawca: Springer
    Status:
    Published
    DOI:
    10.1007/s11224-017-0935-x - link to the publication

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