A merged experimental and theoretical conformational study on alkaline-earth complexes with lariat ethers derived from 4,13-diaza-18-crown-6
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چکیده
منابع مشابه
A structural study of alkaline earth metal complexes with hybrid disila-crown ethers.
Compounds consisting of [M(1,2-disila-[3n]crown-n)]2+ (M = Mg, Ca, Sr, Ba; n = 5, 6) and [Ba(1,2-disila-benzo[18]crown-6)]2+ cations and different anions were obtained by equimolar reaction of the hybrid disila-crown ethers 1,2-disila[15]crown-5 (1), 1,2-disila[18]crown-6 (2) and 1,2-disila-benzo[18]crown-6 (7) with alkaline earth metal salts. Even with strongly coordinating anions such as Br- ...
متن کاملA structural study of alkaline earth metal complexes with hybrid disila - crown ethers †
Compounds consisting of [M(1,2-disila-[3n]crown-n)] (M = Mg, Ca, Sr, Ba; n = 5, 6) and [Ba(1,2-disilabenzo[18]crown-6)] cations and different anions were obtained by equimolar reaction of the hybrid disila-crown ethers 1,2-disila[15]crown-5 (1), 1,2-disila[18]crown-6 (2) and 1,2-disila-benzo[18]crown-6 (7) with alkaline earth metal salts. Even with strongly coordinating anions such as Br or I s...
متن کاملA structural study of alkaline earth metal complexes with hybrid disila - crown ethers † Fabian Dankert
Compounds consisting of [M(1,2-disila-[3n]crown-n)] (M = Mg, Ca, Sr, Ba; n = 5, 6) and [Ba(1,2-disilabenzo[18]crown-6)] cations and different anions were obtained by equimolar reaction of the hybrid disila-crown ethers 1,2-disila[15]crown-5 (1), 1,2-disila[18]crown-6 (2) and 1,2-disila-benzo[18]crown-6 (7) with alkaline earth metal salts. Even with strongly coordinating anions such as Br or I s...
متن کاملTheoretical and Experimental Salvation of Nano Copper Sulfate Interacted with 18-crown-6 in Water
Theoretical study of the electronic structure, NonLinear Optical (NLO) properties, and natural bonding orbital (NBO) analysis of 18-crown-6were investigated using Density Functional Theory (DFT) calculations at the B3LYP/6-311G (d,p) level of theory. The optimized structure is a nonlinear compound indicated from the dihedral angles. Natural bonding orbital analys...
متن کاملBinding and selectivity of phenazino-18-crown-6-ether with alkali, alkaline earth and toxic metal species: A DFT study
The interactions of phenazino-crown ether ligands with alkali, alkaline earth and selected toxic species were investigated using density functional theory modelling by employing B3PW91/6-311G ++ (d, p) level of theory. The complex stability was analysed in terms of binding energies, perturbation energies, position of highest molecular orbital and energy gap values. In general, the complexes for...
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ژورنال
عنوان ژورنال: Inorganica Chimica Acta
سال: 2011
ISSN: 0020-1693
DOI: 10.1016/j.ica.2011.01.070