Magnetic coupling in a hybrid Mn(ii) acetylene dicarboxylate. Issue 48 (29th November 2016)

• Record Type: Journal Article
• Authors: Hendon, Christopher H.; Pradaux-Caggiano, Fabienne; Hatcher, Lauren E.; Gee, William J.; Wilson, Chick C.; Butler, Keith T.; Carbery, David R.; Walsh, Aron; Melot, Brent C.
• Is Part Of: Physical chemistry chemical physics. Volume 18:Issue 48(2016)
• Page Start: 33329
• Page End: 33334
• Publication Date: 2016-11-29
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c6cp06886c
• Languages: English
• ISSNs: 1463-9076

Abstract

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. 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.