Magnetic ordering in a vanadium-organic coordination polymer using a pyrrolo[2,3-: D:5,4- d ′]bis(thiazole)-based ligand

Yulia A. Getmanenko, Christopher S. Mullins, Vladimir N. Nesterov, Stephanie Lake, Chad Risko, Ezekiel Johnston-Halperin

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

Here we present the synthesis and characterization of a hybrid vanadium-organic coordination polymer with robust magnetic order, a Curie temperature TC of ∼110 K, a coercive field of ∼5 Oe at 5 K, and a maximum mass magnetization of about half that of the benchmark ferrimagnetic vanadium(tetracyanoethylene)∼2 (V·(TCNE)∼2). This material was prepared using a new tetracyano-substituted quinoidal organic small molecule 7 based on a tricyclic heterocycle 4-hexyl-4H-pyrrolo[2,3-d:5,4-d′]bis(thiazole) (C6-PBTz). Single crystal X-ray diffraction of the 2,6-diiodo derivative of the parent C6-PBTz, showed a disordered hexyl chain and a nearly linear arrangement of the substituents in positions 2 and 6 of the tricyclic core. Density functional theory (DFT) calculations indicate that C6-PBTz-based ligand 7 is a strong acceptor with an electron affinity larger than that of TCNE and several other ligands previously used in molecular magnets. This effect is due in part to the electron-deficient thiazole rings and extended delocalization of the frontier molecular orbitals. The ligand detailed in this study, a representative example of fused heterocycle aromatic cores with extended π conjugation, introduces new opportunities for structure-magnetic-property correlation studies where the chemistry of the tricyclic heterocycles can modulate the electronic properties and the substituent at the central N-position can vary the spatial characteristics of the magnetic polymer.

Original languageEnglish
Pages (from-to)36223-36232
Number of pages10
JournalRSC Advances
Volume8
Issue number63
DOIs
StatePublished - 2018

Bibliographical note

Publisher Copyright:
© 2018 The Royal Society of Chemistry.

ASJC Scopus subject areas

  • General Chemistry
  • General Chemical Engineering

Fingerprint

Dive into the research topics of 'Magnetic ordering in a vanadium-organic coordination polymer using a pyrrolo[2,3-: D:5,4- d ′]bis(thiazole)-based ligand'. Together they form a unique fingerprint.

Cite this