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Title: Evaluating ferrocene ions and all-ferrocene salts for electrochemical applications
Award ID(s):
1665267
NSF-PAR ID:
10157541
Author(s) / Creator(s):
; ; ;
Date Published:
Journal Name:
Journal of Organometallic Chemistry
Volume:
897
Issue:
C
ISSN:
0022-328X
Page Range / eLocation ID:
23 to 31
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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    DFT calculations were used to capture the properties of redox-switchable metal complexes relevant to the ring-opening polymerisation of cyclic esters by varying the metals, donors, linkers, and substituents in both accessible ferrocene oxidation states. A map of this chemical space highlights that modifying the ligand architecture and the metal has a larger impact on structural changes than changing the oxidation state of the ferrocene backbone. 
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  5. ; ( , Angewandte Chemie International Edition)
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