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 | |
State | Published - 2016 |
Bibliographical note
Publisher Copyright:© 2016 The Owner Societies.