Projects funded by the NCN
Theoretical studies on the mechanism of the CO2/epoxide copolimerization with bifunctional catalysts based on Co(III) complexes with salen ligands: toward understanding the structure-activity relationship.
2013/11/B/ST4/00851
Keywords:
organometallic catalysis organometallic reaction mechanisms CO2/epoxide copolymerization Co(III)-salen complexes DFT molecular dynamics
Descriptors:
- ST4_15: Colloid chemistry
- ST4_14: Catalysis
- ST4_12: Photochemistry
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
Principal investigator (from the host institution):
Number of co-investigators in the project: 4
Call: OPUS 6 - announced on 2013-09-16
Amount awarded: 456 772 PLN
Project start date (Y-m-d): 2014-08-01
Project end date (Y-m-d): 2017-12-31
Project duration:: 41 months (the same as in the proposal)
Project status: Project settled
Equipment purchased [PL]
- Komputer osobisty z monitorem (6 000 PLN)
- Switch z możliwością montażu w szafie typu RACK (1 000 PLN)
- Szafa wolnostojąca typu RACK plus zestaw do montażu komponentów (4 000 PLN)
- Dysk zewnętrzny (1 500 PLN)
- Serwer-węzeł dostępowy z macierzą dyskową z możlwiością montażu w szafie typu RACK (18 000 PLN)
- Węzły obliczeniowe z możlwiością montażu w szafie typu RACK (48 000 PLN)
- Zasilacz awaryjny z możliwością montażu w szafie typu RACK (2 000 PLN)
Information in the final report
- Publication in academic press/journals (3)
- Theoretical Study on Epoxide Ring-opening in CO2/Epoxide Copolymerization Catalyzed by Bifunctional Salen-Type Cobalt(III) Complexes: Influence of Stereoelectronic FactorsAuthors:Karol Dyduch, Aleksandra Roznowska, Monika Srebro-Hoope, Bun Yeoul Lee, Artur MichalakAcademic press:Catalysts (rok: 2021, tom: 11, strony: 328 (1-26)), Wydawca: MDPIStatus:PublishedDOI:10.3390/catal11030328 - link to the publication
- Theoretical study on preference of open polymer vs. cyclic products in CO2/epoxide copolymerization with cobalt(III)-salen bifunctional catalystsAuthors:Aleksandra Roznowska, Karol Dyduch, Bun Yeoul Lee, Artur MichalakAcademic press:Journal of Molecular Modeling (rok: 2020, tom: 26, strony: 113 (1-13)), Wydawca: SpringerStatus:PublishedDOI:10.1007/s00894-020-04364-x - link to the publication
- Exploring the conformational space of cobalt(III)-salen catalyst for CO2/epoxide copolymerization: effect of quaternary ammonium salts on preference of alternative isomersAuthors:Karol Dyduch, Monika Srebro-Hooper, Bun Yeoul Lee, Artur MichalakAcademic press:Journal of Computational Chemistry (rok: 2018, tom: 39, strony: 1854-1867), Wydawca: WileyStatus:PublishedDOI:10.1002/jcc.25358 - link to the publication