Welcome to the CAChe Molecular Modeling Tutorials

Department of Chemistry

University of Pittsburgh at Johnstown

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Ferrocene

Ferrocene Modeling Exercise

Task 1: Obtain ferrocene from the Fragment Library 

Time: 3 minutes

The Fragment Library folder is located in the CAChe folder which is generally located in the Program Files/Fujitsu folder on the the C: drive.

  1. Select File|Open and open the Fragment Library folder. 
  2. Open the Ligand-pi-complex folder.
  3. Choose (Cp)2Fe_.csf and click Open.  A document window opens with a model of ferrocene.
  4. Before making any changes, we want to save our molecule, and we want to be sure to save it with its new name in the appropriate folder.
    1. Select File|Save as. 
    2. Locate the folder where you want to store the molecule. 
    3. Name the file "ferrocene". Click Save.
    4. Save again, this time as "ferrocene-OAc" for the mono-acetylated derivative.

In the next two steps you will convert ferrocene to mono-acetyl ferrocene and Di-acetyl ferrocene.