The unusual redox properties of fluoroferrocenes revealed through a comprehensive study of the haloferrocenes
File(s)om-2015-00811g manuscript (FINAL, clean).pdf (6.42 MB)
Accepted version
Author(s)
Type
Journal Article
Abstract
We report the synthesis and full characterization of the entire haloferrocene (FcX) and 1,1′-dihaloferrocene (fcX2) series (X = I, Br, Cl, F; Fc = ferrocenyl, fc = ferrocene-1,1′-diyl). Finalization of this simple, yet intriguing set of compounds has been delayed by synthetic challenges associated with the incorporation of fluorine substituents. Successful preparation of fluoroferrocene (FcF) and 1,1′-difluoroferrocene (fcF2) were ultimately achieved using reactions between the appropriate lithiated ferrocene species and N-fluorobenzenesulfonimide (NFSI). The crude reaction products, in addition to those resulting from analogous preparations of chloroferrocene (FcCl) and 1,1′-dichloroferrocene (fcCl2), were utilized as model systems to probe the limits of a previously reported “oxidative purification” methodology. From this investigation and careful solution voltammetry studies, we find that the fluorinated derivatives exhibit the lowest redox potentials of each of the FcX and fcX2 series. This counterintuitive result is discussed with reference to the spectroscopic, structural, and first-principles calculations of these and related materials.
Date Issued
2015-11-02
Date Acceptance
2015-11-02
Citation
Organometallics, 2015, 34 (22), pp.5461-5469
ISSN
1520-6041
Publisher
American Chemical Society
Start Page
5461
End Page
5469
Journal / Book Title
Organometallics
Volume
34
Issue
22
Copyright Statement
This document is the Accepted Manuscript version of a Published Work that appeared in final form in Organometallics, © American Chemical Society 2016, after peer review and technical editing by the publisher. To access the final edited and published work see http://dx.doi.org/10.1021/acs.organomet.5b00811
Subjects
Science & Technology
Physical Sciences
Chemistry, Inorganic & Nuclear
Chemistry, Organic
Chemistry
FERROCENE-BASED NANOELECTRONICS
ELECTRONIC-STRUCTURE
FUNCTIONALIZED ARYL
ELECTROPHILIC FLUORINATION
DISUBSTITUTED FERROCENES
CYCLOPENTADIENYL LIGANDS
COORDINATION CHEMISTRY
MEDIATED FLUORINATION
MOLECULAR ELECTRONICS
METALLOCENES
Organic Chemistry
0302 Inorganic Chemistry
0305 Organic Chemistry
0399 Other Chemical Sciences
Publication Status
Published