Binding and activation of small molecules containing nitrogen by zeolites- spectroscopic and molecular modelling study
2013/11/D/ST4/02838
Keywords
Descriptors
- ST4_3: Metody spektroskopowe i spektrometryczne
- ST4_14: Reakcje chemiczne: mechanizmy, termodynamika, kinetyka i kataliza
- ST4_15: 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
Principal investigator (from the host institution)
dr Katarzyna Anna 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
- 2014-10-06
- Project end date
- 2018-11-05
- Project duration
- 49 months (the same as in the proposal)
- Project status
- Project settled
Equipment purchased [PL]
- Kolumna i detektor do mikro-GC. Cost: 41 000 PLN
- Komputer PC. Cost: 4 000 PLN
- Licencja na oprogramowanie ADF-GUI. Cost: 3 200 PLN
- Mierniki ciśnieniowe (2 pcs). Cost: 8 400 PLN
- Oprogramowanie GaussView. Cost: 4 600 PLN
- Serwer obliczeniowy - węzły do rozbudowy klastera komputerowego (2 pcs). Cost: 50 000 PLN
- komora reakcyjna IR. Cost: 130 000 PLN
Information in the final report
Publication in academic press/journals (3)
-
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 (year: 2019, volume: 1180, pages: 754-763), Publisher: Elsevier
- Status:
- Published
- DOI:
- 10.1016/j.molstruc.2018.12.058 – link to the publication
-
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 (year: 2016, volume: 18, pages: 9490-9496), Publisher: Royal Society of Chemistry
- Status:
- Published
- DOI:
- 10.1039/C6CP01046F – link to the publication
-
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
- Status:
- Accepted for publication