Electronic coupling of nitric oxide with cobalt centers in various coordination environments: imact of electron density flow on ligand activation.
2013/11/N/ST4/00984
Keywords
Descriptors
- 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
Instytut Katalizy i Fizykochemii Powierzchni im. Jerzego Habera PAN
Voivodeship: małopolskie
Principal investigator (from the host institution)
Number of co-investigators in the project: 2
Call
PRELUDIUM 6 – announced on 2013-09-16
- Amount awarded
- 100 000 PLN
- Project start date
- 2014-08-13
- Project end date
- 2016-08-12
- Project duration
- 24 months (the same as in the proposal)
- Project status
- Project settled
Equipment purchased [PL]
- roczna licencja na program obliczeniowy Jaguar. Cost: 5 000 PLN
- węzeł komputerowy dużej mocy wraz z osprzętem. Cost: 25 000 PLN
Information in the final report
Publication in academic press/journals (2)
-
Ammonia-modified Co(II) sites in zeolites: IR spectroscopy and spin-resolved charge transfer analysis of NO adsorption complexes
- Authors:
- Kinga Góra-Marek, Adam Stępniewski, Mariusz Radoń, Ewa Brocławik
- Academic press:
- Physical Chemistry Chemical Physics (year: 2014, volume: 16, pages: 24089-24098), Publisher: Royal Society of Chemistry
- Status:
- Published
- DOI:
- 10.1039/C4CP03350G – link to the publication
-
Ammonia-modified Co(II) sites in zeolites: spin and electron density redistribution through the Co(II)-NO bond
- Authors:
- Adam Stępniewski, Mariusz Radoń, Kinga Góra-Marek, Ewa Brocławik
- Academic press:
- Physical Chemistry Chemical Physics (year: 2016, volume: 18, pages: 3716-3729), Publisher: Royal Society of Chemistry
- Status:
- Published
- DOI:
- 10.1039/C5CP07452E – link to the publication