Computational analysis of symmetric and asymmetric oxazolidinone formation from CO2 (WP2)
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Application Deadline: 16th November 2020
3 PhD year position. Expected start date: Mid 2020.
Remember to read the eligibility criteria here.
Objectives:
- High-level ab initio modelling of oxazolidinone forming reactions involving CO2
- Analysis of non-precious asymmetric metal-catalyzed oxazolidinone formation
- Design of novel catalysts for formation of carbamates on the basis of computational insights
Expected results:
- Mechanistic cycles for activation of CO2 towards oxazolidinone formation
- Insights into selectivity-determining factors in asymmetric oxazolidinone formation
- Design of novel catalytic systems for carbamate formation
Planned secondment(s):
- UZH to Prof Nevado (2 months): Insights into experimental factors of symmetric and asymmetric carbamate formation from CO2 (with ESR6 and 7).
- Industrial secondment to AZ, Dr. Norrby (2 months): design and modelling of enantioselective catalysts for carbamate formation.
Enrolment in Doctoral degree(s): UiT The Arctic University of Norway
Principle Supervisor: Assoc. Prof. Kathrin H. Hopmann (UiT)