One‐Dimensional Oxalato‐Bridged Metal(II) Complexes with 4‐Amino‐1,2,4‐triazole as Apical Ligand

Abstract

2+ units are sequentially bridged by bis(bidentate) oxalato ligands, resulting in an octahedral O 4 N 2 donor set. Cryomagnetic susceptibility measurements show the occurrence of antiferromagnetic intrachain interactions for 2, 3, and 5, whereas compound 1 exhibits a weak ferromagnetic coupling in

Understanding the nature of Metal Oxalato Complexes with Purine Nucleobase- A Quantum Chemical approach

“…In case of monomer the M-O (M=Cd) bond distance originates from 2.29 to 2.34 Å and 2.20 to 2.47 Å, where the adenine nucleobase bonded through N11 atom has the M-N11 bond distance of 2.29 Å and 2.28 Å at B3LYP and M05 levels of theory respectively. This agrees well with the experimental crystal data and the previously reported values of crystal compound [20,45,46]. The dihedral angle between two consecutive oxalato bridging ligands (O 3 -Cd 1 -O 4 -C 2 ) are 82.27° and 81.16° at above levels of theory respectively which were underestimated by 7° compared to those observed in X-ray crystallography.…”

EPR and magnetization studies on single crystals of a heterometallic (CuII and CrIII) complex: Zero-field splitting determination

“…The results of magnetization measurements of the [Cu(bpy)3 ] 2 [Cr(C 2 O 4 ) 3 ]-NO 3 ·9H 2 O complexfor the parallel and perpendicular orientations of the crystallographic b axis with respect to the applied magnetic field B = 1 T, i.e. for B b and B ⊥ b, are shown in Figs.…”

New Mononuclear Cu(II) Complexes and 1D Chains with 4-Amino-4H-1,2,4-triazole

“…The former angle in IV is significantly reduced and of 0–2°, while the latter angle is very similar, 12–14°. These values are in a range characteristic for similar Cu(II) chains [12–14]. However, incorporation of the third μ 2 -1,2,4-triazole derivative into the Cu(II) chain leads to a significant increase of the third dihedral angle, which might be explained by steric demands [27,29].…”