Magnetic coupling in a hybrid Mn(II) acetylene dicarboxylate

Christopher H. Hendon, Fabienne Pradaux-Caggiano, Lauren E. Hatcher, William J. Gee, Chick C. Wilson, Keith T. Butler, David R. Carbery, Aron Walsh, Brent C. Melot

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

The design of ligands that mediate through-bond long range super-exchange in metal-organic hybrid materials would expand chemical space beyond the commonly observed short range, low temperature magnetic ordering. Here we examine acetylene dicarboxylate as a potential ligand that could install long range magnetic ordering due to its spatially continuous frontier orbitals. Using a known Mn(II)-containing coordination polymer we compute and measure the electronic structure and magnetic ordering. In this case, the latter is weak owing to the sub-optimal ligand coordination geometry, with a critical temperature of 2.5 K.

Original languageEnglish
Pages (from-to)33329-33334
Number of pages6
JournalPhysical Chemistry Chemical Physics
Volume18
Issue number48
DOIs
Publication statusPublished - 2016

Bibliographical note

Funding Information:
BCM gratefully acknowledges support from the Office of Naval Research Grant # N00014-15-1-2411. The work at the University of Bath benefited by financial support from EPSRC (Grants EP/I033459/1, EP/J017361/1, EP/K004956/1WK, EP/ M009580/1, EP/L000202), the Royal Society, the ERC (Grant 277757) and the Leverhulme Trust. This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number ACI-1053575.

Publisher Copyright:
© 2016 The Owner Societies.

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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