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Controlling Through-Space and Through-Bond Exchange Pathways in Bis-Cobaltocenes for Molecular Spintronics

preprint
submitted on 19.09.2019, 11:14 and posted on 24.09.2019, 16:35 by Sarah Puhl, Torben Steenbock, Carmen Herrmann, Jürgen Heck
Pinching molecules via chemical strain suggests intuitive consequences, such as compression at the pinched site, and clothespin-like opening of other parts of the structure. If this opening affects two spin centers, it should result in reduced communication between them. We show that for a naphthalene-bridged biscobaltocenes with competing through-space and through-bond pathways, the consequences of pinching are far less intuitive: despite the known dominance of through-space interactions, the bridge plays a much larger role for exchange spin coupling than previously assumed. Based on a combination of chemical synthesis, structural, magnetic and redox characterization, and a newly developed first-principles theoretical pathways analysis, we can suggest a comprehensive explanation for this nonintuitive behavior. These results are of interest for molecular spintronics, as naphthalene-linked cobaltocenes can form wires on surfaces for potential spin-only information transfer.

Funding

DFG SFB 668

History

Email Address of Submitting Author

carmen.herrmann@chemie.uni-hamburg.de

Institution

University of Hamburg

Country

Germany

ORCID For Submitting Author

0000-0002-9496-0664

Declaration of Conflict of Interest

no conflict of interest

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