Magnetic anisotropy of CoII-WV ferromagnet: Single crystal and ab initio study

Szymon Chorazy, Robert Podgajny, Anna M. Majcher, Wojciech Nitek, Michał Rams, Elizaveta A. Suturina, Liviu Ungur, Liviu F. Chibotaru, Barbara Sieklucka

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

The novel layered {CoII3(2,2′-bpdo) 4(H2O)4[WV(CN)8] 2}·8H2O (1) network (2,2′-bpdo = 2,2′-bipyridine-1,1′-dioxide) is built of 2-D corrugated cyanide-bridged brick-wall skeletons parallel to the bc crystallographic plane. The coordination of chelating 2,2′-bpdo to Co(ii) gives 7-membered coordination rings. Magnetic and heat capacity measurements performed on monocrystalline samples reveal ferromagnetic ordering below TC of 6 K. Magnetic anisotropy of the ordered phase is represented by the easy axis oriented in the ac crystallographic plane. Bulk magnetic anisotropy is confronted with a local anisotropy of Co complexes: a strong axial anisotropy of trans,cis,cis-[CoII(μ-NC)2(H2O) 2(2,2′-bpdo)] moieties represented by gx (2) = 2.06, gy(2) = 2.95 and gz (2) = 7.30, and a planar anisotropy of trans,cis,cis-[Co II(μ-NC)2(2,2′-bpdo)2] represented by gx(3) = 5.40, gy(3) = 4.82 and gz(3) = 2.28, determined by CASSCF/RASSI/SINGLE-ANISO ab initio calculations. The experimental data are explained by the molecular field simulation of the magnetic structure using the above theoretical data.

Original languageEnglish
Pages (from-to)2378-2385
Number of pages8
JournalCrystEngComm
Volume15
Issue number13
DOIs
Publication statusPublished - 7 Apr 2013

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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