Magnetic Behaviour of Transition Metal Complexes with Functionalized Chiral and C60-Filled Nanotubes as Bridging Ligands: A Theoretical Study
نویسنده
چکیده
Functionalized nanotubes are promising candidates to promote communication between paramagnetic centres at large distances through their highly delocalized π systems. Here, Density Functional Theory methods are employed to study the exchange coupling interaction between FeIII paramagnetic centres coordinated at terminal carboxylate ligands of functionalized nanotubes. Chiral nanotubes exhibit ferromagnetic coupling at long distances while non-chiral systems usually favor antiferromagnetic coupling. The inclusion of C60 molecules inside the nanotube, resulting in peapod structures, in some cases causes dramatic changes in the coupling interactions and spin density.
منابع مشابه
Synthesis, Spectroscopy and Magnetic Characterization of Five Dinuclear Copper(II) Complexes with 2, 3 or 4-Pyridinemethanol as the Ligand
The synthesis, spectroscopy and magnetic characterization of five new dinuclear copper(II) complexes are described. All five compounds have the general formula [Cu2(L)4(O-R)2](Cl)2 or [Cu2(L)2(Cl)2](Cl)2, in which R = CH3 or H, L=2, 3 or 4-pyridinemethanol as L2, L3 or L4, respectively. The title compounds consist of dinuclear units with bridging methoxo groups in [Cu2(L4)4(O-CH3)2](Cl)2, hydro...
متن کاملSynthesis, Spectroscopy and Magnetism of Alkoxobridged Dinuclear Copper(II) Complexes with 2 Amino Picolines as the Ligands
The synthesis, spectroscopic and magnetic characterization of a series of new alkoxo-bridged binuclear copper (II) compounds are described. All complexes have the general formula [Cu (m-OR)(L)2]2(ClO4)2 · x H2O, in which m-OR = CH3O-, C2H5O- or C3H7O-<e...
متن کاملSynthesis and characterization of some transition metal complexes of Schiff base derived from 2,4 - dihydroxybenzaldehyde
Abstract New N2O2 type Schiff base has been designed and synthesized by condensing 2,4 dihydroxy benzaldehyde and α-naphthylamine in ethanol. Solid metal complexes of the schiff base with Cu(II), Ni(II) and Zn(II) metal ion were synthesized and characterized by elemental analysis, magnetic susceptibility, molar conductance, IR, UV-Vis and ‘H NMR spectral studies. The data shows that the c...
متن کاملA Density Functional Theory Investigation of d8 Transition Metal(II) (Ni, Pd, Pt) Chloride Complexes of Some Vic-dioximes Derivatives
Herein, a theoretical study on the stability of some vic-dioxime complexes of Ni(II), Pd(II) and Pt(II) in gas and aqueous phases is reported. The DFT/M06/SDD and DFT/M06/6-31G+(d,p) levels of theory were adopted for the metal ions and for every other element respectively. Structural analyses of investigated complexes have revealed square planar geometries stabilized by two O–H⋯Cl hydrogen bond...
متن کاملSTUDIES OF TRANSITION METAL COMPLEXES WITH 2N-QUINOLYL- AND 2N-ISOQUINOLYL- 1,1,3,3-TETRAMETHY LGUANIDINES
Ligands derived from 8-quinoline, 6-quinoline, 1 -isoquinoline, and 5-isoquinoline were synthesized. These compounds have been used as ligands for complexation of transition metals, such as copper(II) and nickel(II). According to the spectrosocopic data, copper(II) cation forms (I: 1) and (I:2) complexes with 2-(8-quinoly1)-l,l,3,3- tetramethylguanidine and 2- (I '-isoquinoly1)- 1,1,3,3-tetr...
متن کامل