Co(II) catalyzed CO2 reduction

bcao - Posted on 17 February 2015

Project Description:

CO2 reduction reaction is a challenging topic in green chemistry. The mechanism of Co(II) catalyzed CO2 reduction was studied.

Research Project Details

Project Duration:

01/2015 to 06/2015

Project Significance:

The mechanism study unravel the reason of high turn over number with Co(II) catalysis.

Results Achieved:

By quantum mechanics calculations, the geometric effect and electrostatic interaction which play important role in the reaction were confirmed.

Remarks:

The simulations we take would be performed on the gridpoint server.

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