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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Binding and activation of small molecules containing nitrogen by zeolites- spectroscopic and molecular modelling study

2013/11/D/ST4/02838

Keywords:

zeolites small molecules activation (N2 NOx N2O NH3) EPR IR transition metals DFT

Descriptors:

  • ST4_3: Molecular architecture and structure
  • ST4_14: Catalysis
  • ST4_15: Colloid chemistry

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 Katarzyna Podolska-Serafin 

Number of co-investigators in the project: 6

Call: SONATA 6 - announced on 2013-09-16

Amount awarded: 689 700 PLN

Project start date (Y-m-d): 2014-10-06

Project end date (Y-m-d): 2018-11-05

Project duration:: 49 months (the same as in the proposal)

Project status: Project settled

Equipment purchased [PL]

  1. komora reakcyjna IR (130 000 PLN)
  2. Kolumna i detektor do mikro-GC (41 000 PLN)
  3. Licencja na oprogramowanie ADF-GUI (3 200 PLN)
  4. Serwer obliczeniowy - węzły do rozbudowy klastera komputerowego (2 szt.) (50 000 PLN)
  5. Komputer PC (4 000 PLN)
  6. Mierniki ciśnieniowe (2 szt.) (8 400 PLN)
  7. Oprogramowanie GaussView (4 600 PLN)

Information in the final report

  • Publication in academic press/journals (3)
  1. Molecular structures of nickel adducts in zeolites - interpretation of experimental EPR g-tensors guided by DFT calculations
    Authors:
    Katarzyna Podolska-Serafin, Piotr Pietrzyk
    Academic press:
    Journal of Molecular Structure (rok: 2019, tom: 1180, strony: 754-763), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.molstruc.2018.12.058 - link to the publication
  2. Redox states of nickel in zeolites and molecular account into binding of N2 to nickel(I) centers – IR, EPR and DFT study
    Authors:
    Piotr Pietrzyk, Katarzyna Podolska-Serafin, Kinga Góra-Marek, Aneta Krasowska, Zbigniew Sojka
    Academic press:
    Microporous and Mesoporous Materials (rok: 2020, tom: 291, strony: 109692 (11)), Wydawca: Elsevier
    Status:
    Accepted for publication
    DOI:
    10.1016/j.micromeso.2019.109692 - link to the publication
  3. Paramagnetic dioxovanadium(IV) molecules inside the channels of zeolite BEA - EPR screening of VO2 reactivity toward small gas-phase molecules
    Authors:
    Piotr Pietrzyk, Kinga Góra-Marek
    Academic press:
    Physical Chemistry Chemical Physics (rok: 2016, tom: 18, strony: 9490-9496), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/C6CP01046F - link to the publication

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