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 language | English |
|---|---|
| Pages (from-to) | 33329-33334 |
| Number of pages | 6 |
| Journal | Physical Chemistry Chemical Physics |
| Volume | 18 |
| Issue number | 48 |
| DOIs | |
| Publication status | Published - 2016 |
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry
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Hendon, C. H., Pradaux-Caggiano, F., Hatcher, L. E., Gee, W. J., Wilson, C. C., Butler, K. T., Carbery, D. R., Walsh, A., & Melot, B. C. (2016). Magnetic coupling in a hybrid Mn(II) acetylene dicarboxylate. Physical Chemistry Chemical Physics , 18(48), 33329-33334. https://doi.org/10.1039/C6CP06886C