Super-exchange interaction in a <i>chair</i>-piperazine bridged dicopper(II/II) complex: Synthesis, crystal structure, magnetic properties and molecular orbital calculations
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, cilt.61, sa.3, ss.237-242, 2006 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 61 Sayı: 3
- Basım Tarihi: 2006
- Doi Numarası: 10.1515/znb-2006-0302
- 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.237-242
- Anahtar Kelimeler: dinuclear copper(II) complex, super-exchange interactions, antiferromagnetic coupling, Schiff base, imidazolidine, TRANSITION-METAL COMPLEXES, SCHIFF-BASE LIGAND, COPPER(II) COMPLEX, IRON(III) COMPLEX, ALKOXO
- Ankara Üniversitesi Adresli: Hayır
Özet
Reaction of the mu-bis(tridentate) ligand H3L' (L' = 1,3-bis[N-(5-chloro-2-hydroxybenzylidene)-2-aminoethylene]-2-(5-chloro-2-hydroxyphenyl)imidazolidine) with copper(II) chloride dihydrate gives the chair-piperazine bridged complex [Cu-2(mu-L)Cl-2]. The halves of the binuclear complex are related by crystallographic inversion symmetry. The intramolecular Cu center dot center dot center dot Cu separation is 6.954(3) angstrom. Temperature-dependent magnetic susceptibility measurements of the complex show a weak intramolecular antiferromagnetic coupling. The super-exchange coupling constant (J) is -10.5 cm(-1). Semi-empirical 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.