Crystal structure and magnetic exchange interaction in a binuclear copper(II) Schiff base complex with a bridging m-phenylenediamine ligand

Zeyrek C. T., Elmali A., Elerman Y., Svoboda I.

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, cilt.60, sa.2, ss.143-148, 2005 (SCI-Expanded, Scopus)

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 60 Sayı: 2
  • Basım Tarihi: 2005
  • Doi Numarası: 10.1515/znb-2005-0203
  • Dergi Adı: ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.143-148
  • Anahtar Kelimeler: dinuclear copper(II) complex, antiferromagnetic interactions, super-exchange interactions, Schiff base, molecular orbital calculation, ALKOXO-OXYGEN ATOM, SUPEREXCHANGE, STATES
  • Ankara Üniversitesi Adresli: Hayır

Özet

Condensation of 2-hydroxy-3-methoxybenzaldehyde with m-phenylenediamine (1,3-diaminobenzene) (m-pda) gives the ligand [N,N'-bis(2-hydroxy-3-methoxybenzylidene)-1,3-diaminobenzene] which reacts with cupric acetate to give the complex [Cu-2(L-m-pda)(2)].2H(2)O, [L = 2-hydroxy-3-methoxybenzaldehyde)]. The molecular structure of the complex [Cu-2(L-m-pda)(2)]-2H(2)O has been determined by single-crystal X-ray analysis. (C44H40Cu2N4O8)(.)2H(2)O, triclinic, space group P (1) over bar. Two [Cu(L-m-pda)] fragments, related by an inversion center, are connected by m-phenylene groups to form a binuclear unit. The coordination geometry around each copper(II) can be described as a distorted tetrahedron formed by the N 202 donor set of the Schiff base ligands. The intramolecular Cu center dot center dot center dot Cu separation is 7.401(6) angstrom. The magnetic susceptibility of the complex in the 5-301 K temperature range can be rationalized by the parameters J = -0.4 cm(-1) and g = 2.17. This indicates a weak intramolecular antiferromagnetic interaction. Extended Huckel molecular orbital (EHMO) calculations have been performed in order to gain insight into the molecular orbitals that participate in the super-exchange pathway.