12318-65-9

Basic information

• Product Name: [Cu(imidazole)4Cl]Cl
• CAS NO: 12318-65-9
• Molecular Weight: 406.765
• Mol File: 12318-65-9.mol

Chemical Properties

• CAS DataBase Reference: [Cu(imidazole)4Cl]Cl(CAS DataBase Reference)
• NIST Chemistry Reference: [Cu(imidazole)4Cl]Cl(12318-65-9)
• EPA Substance Registry System: [Cu(imidazole)4Cl]Cl(12318-65-9)

Safety Data

• Hazardous Substances Data: 12318-65-9(Hazardous Substances Data)

Upstream product

• 288-32-4 1H-imidazole 
• 12274-89-4 dichloro(thiosemicarbazide)Cu(II) 
• 37981-04-7 Cu(II)(thiosemicarbazide)2Cl₂ 

Relevant articles and documents

An effective route to montmorillonite intercalation with imidazole complexes: Experiment and theory

Intercalation of 1H-imidazole (IM) and his derivative 2-phenylimidazole (2-PhIM) into the interlayer spaces of both natural Ca(II)-montmorillonite (Ca-MMT) and Cu(II)-montmorillonite (Cu-MMT) was carried out by two ways, solid-state intercalation and inte

Structures of pentakis-(imidazole)copper(II) hexafluoroarsenate monohydrate and chlorotetrakis-(imidazole)copper(II) chloride

The complexes [Cu(imH)5](AsF6)2·H2O and [Cu(imH)4Cl]Cl (imH = imidazole) were prepared and characterized on the basis of elemental analyses, infrared spectroscopy, electronic spectroscopy, magnetic moment measurements and X-ray crystallography. The complex cation in each species contains a five-coordinate copper atom with a distorted square-pyramidal geometry.

Chloride assisted supramolecular self-assembly of square-pyramidal [Cu(imidazole)4(Cl)]+ unit involving C- H???Cl, N-H???Cl, π???π, C-H???π Interactions : A structural, spectral and theoretical investigation

A proposed crystal engineering principle, i.e., the anion directed association of molecular complexes driven by the formation of hydrogen bonding patterns and by C-H???π and π???π interactions among p-systems involving suitable aromatic organic heterocyclic ligands have been examined through this work where we report the supramolecular self-assembly of [Cu(imidazole)4(Cl)]+ units in a water soluble fluorescent molecular complex with formula {[Cu(imidazole) 4(Cl)](Cl)}(1). The free chlorine atom (Cl2) and the metal bound chlorine atom (Cl1) in complex 1 act as hydrogen bonding acceptors while the metal coordinated imidazole groups directs the self-assembling pattern of complex 1 via self-complementary hydrogen-bonding interactions (C-H???Cl, N-H???Cl) along with π???π stacking and C-H???π interactions between metal coordinated aromatic imidazole moieties. The experimental work is completed with a computational analysis of complex 1.

Revised crystal and molecular structure, FT-IR spectra and DFT studies of chlorotetrakis(imidazole)copper(II) chloride

Copper(II) complex with imidazole, [Cu(ImH)4Cl]Cl, was prepared and characterized by a single crystal X-ray analysis and infrared spectroscopy. This complex is one of the two polymorphic forms of the title compound. The crystal and molecular structures, and the patterns of intermolecular hydrogen bonding in two polymorphs have been compared and discussed. The two forms crystallize in the same monoclinic space group (P21/n) with different unit cell parameters. The detailed assignments of the FT-IR spectra of the title complex have been made on the basis of theoretical studies of the [Cu(ImH)4Cl]+ cation using the unrestricted B3LYP method and the combined basis set: 6-311++G(3df,3pd) for non-metal atoms and LanL2DZ for Cu. The bands at 285, 259 and 229 cm-1 in the IR spectrum are assigned to the CuN(imidazole) stretching vibrations.

Preparation, crystal structure, and thermal decomposition of the intriguing five-coordinated compound [Cu(IMI)4Cl]Cl (IMI = Imidazole)

The intriguing multi-ligand compound [Cu(IMI)4Cl]Cl (1) with the ligand imidazole (IMI) was synthesized and characterized by elemental analysis and FT-IR spectroscopy. The crystal structure was determined by X-ray single crystal diffraction and the crystallographic data showed that the compound belongs to the monoclinic P21/n space group [α = 8.847(2) A, b = 13.210(3) A, c = 13.870(3) A, and β = 90.164(3)°]. Furthermore, the CuII ion is five-coordinated by four nitrogen atoms from four imidazole ligands and a chlorine atom. The thermal decomposition mechanism was determined based on differential scanning calorimetry (DSC) and thermogravimetric (TG-DTG) analysis. The non-isothermal kinetics parameters were calculated by the Kissinger's method and Ozawa's method, respectively. The energy of combustion, enthalpy of formation, critical temperature of thermal explosion, entropy of activation (ΔS ≠), enthalpy of activation (ΔH≠), and free energy of activation (ΔG≠) were measured and calculated. Copyright

Synthesis, Crystal Structure and Chemical Reactivity of Dichloro(thiosemicarbazide)copper(II)

The structure of dichloro(thiosemicarbazide)copper(II), , has been determined by X-ray crystallography.Contrary to earlier proposals the compound is found to be monomeric.Electron spin resonance studies of the compound both as a polycrystalline solid and in dimethylformamide solution are also in accordance with a monomeric structure.The reactivity of towards some Lewis bases such as imidazole, 2,2'-bipyridyl etc. has also been studied.