Synthesis, characterization and DFT study on two copper(II) complexes with a naphthalene-based Schiff base: Examples of stronger chelate–chelate interactions than those reported for classical π–π complexes
11
Citation
33
Reference
10
Related Paper
Citation Trend
Keywords:
Dicyanamide
Thiocyanate
Dicyanamide
Cite
Citations (6)
Dicyanamide
Ethylene diamine
Thiocyanate
Cite
Citations (21)
Dicyanamide
Bridging ligand
Amide
Coordination polymer
Cite
Citations (11)
Organometallic Chemistry
Coordination geometry
Cite
Citations (6)
Dicyanamide
Cite
Citations (26)
Two pseudohalides thiocyanate and dicyanamide have been employed to synthesize complexes of MnII, CoII, NiII, CuII, and ZnII in the presence of a hemilabile ligand 2-benzoylpyridine (Phpyk). With thiocyanate all the aforesaid metal ions (except for CoII, of which suitable single crystals for X-ray analysis were not obtained) produce mononuclear complexes having general composition of [MII(NCS)2(Phpyk)2]. The structure determination reveals that Mn and Zn complexes (1, 4) are isomorphous and isostructural (crystallizing in space group C2/c), while Ni and Cu complexes (2, 3) crystallize in space groups P1̅ and P21/n, respectively. Interestingly, no complex has been obtained with a configuration having the N of one Phpyk trans to the O of the other chelating ligand and among the four complexes only in complex 3 the two thiocyanato ligands are in trans-configuration. On the other hand, complexes 5–8 are isomorphous and crystallize in orthorhombic chiral space group P212121. The bridging mode of dicyanamide anions helps to generate a three-dimensional covalently bonded polymeric network of 66 topology for all the polynuclear complexes. By using 8 as sole precursor, we have pyrolytically synthesized triangular shaped ZnO nanoparticles.
Dicyanamide
Thiocyanate
Isostructural
Orthorhombic crystal system
Cite
Citations (45)
Dicyanamide
Thiocyanate
Isostructural
Triazole
Thermogravimetric analysis
1,2,4-Triazole
Coordination polymer
Cite
Citations (8)
Crystal (programming language)
Cite
Citations (39)
A refined set of potential parameters for 1-alkyl-3-methylimidazolium based room temperature ionic liquids with anions such as acetate, dicyanamide, and thiocyanate has been obtained. Site charges of ions were derived through the density-derived electrostatic and charge partitioning (DDEC/c3) method utilizing periodic density functional theory calculations of these liquids. Intermolecular structure and dynamics, in particular, the collective quantities predicted by the refined force field, match experimental results quantitatively.
Dicyanamide
Thiocyanate
Cite
Citations (0)
The preparation, crystal structures and magnetic properties of three different copper(II) chains of formula [Cu(pyim)(H2O)(dca)]n(NO3)n (1), [Cu(dpa)(dca)2]n (2) and [Cu(bpa)(dca)2]n (3) [pyim = 2-(2-pyridyl)imidazole, dca = dicyanamide anion, dpa = 2,2′-dipyridylamine and bpa = 1,2-bis(4-pyridyl)ethane] are reported. A chain structure with single, symmetrical, end-to-end dca bridges is found in compound 1. This bridging mode, with two short, equatorially coordinated Cu–N bonds has not been previously observed in the [Cu(dca)Xn] (X = coligand) family of compounds. The copper atom in 1 has a distorted square pyramidal geometry with a bidentate pyim ligand and two nitrile nitrogen atoms from two dca groups in the equatorial positions and a water molecule occupying the axial site. In compound 2, the single dca bridge is of the asymmetric end-to-end type. The copper environment in 2 is also distorted square pyramidal with a bidentate dpa ligand and two nitrile nitrogen atoms (one from a terminally bound dca and the other from a bridging dca) in the equatorial positions and a nitrile nitrogen atom from another bridging dca occupying the axial site. Compound 3 also features a uniform chain structure. In this case double, asymmetric end-to-end dca bridges and a bis-monodenate bpa bridge in the gauche conformation connect the neighbouring copper atoms. The copper(II) coordination geometry in 3 is elongated octahedral with two trans coordinated bpa nitrogen atoms and two dca nitrile nitrogens in the equatorial sites and two nitrile nitrogen atoms from two other dca groups occupying the axial positions. The copper–copper separations across the dca bridges are 7.7011(9) (1), 7.689(2) (2) and 7.095(3) Å (3). Magnetic susceptibility measurements for 1–3 in the temperature range 1.9–290 K reveal the occurrence of weak intrachain antiferromagnetic interactions [J = −0.35 (1), −0.10 (2) and −0.22 cm−1 (3) the Hamiltonian being defined as Ĥ = −J ΣiŜi·Ŝi + 1]. The efficiency of the dca bridge to mediate magnetic interactions in copper(II) complexes is analyzed and discussed in the light of the available magneto-structural data.
Dicyanamide
Imidazole
Coordination geometry
Nitrogen atom
Cite
Citations (114)