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...

Abstract Novel organomagnesium crown ether molecules have been computationally characterized using density functional theory (DFT). Monomer units of MgC 6 are used as building blocks. Isomers H 2 extensively explored both DFT and coupled‐cluster methods in the past by some us. It had concluded that seven‐membered ring isomer, 1‐magnesacyclohept‐4‐en‐2,6‐diyne, was thermodynamically most stable ...

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...

the do1(18c6)fi (mwli. na. k and i 8c6=18-crown-6) complexes have been chosen as the model systems toinvestigate the nature of chemical bonds between alkali metal cations and large mffitidentaie orgmnic ligands.the b3lyp/6-3i+g(d,p) level of calculation has been used for obtaining equilibrium geernetnes and p(r)functions (electron density distributions). by the aid of fundamental physical theor...

We present the synthesis and characterization of (15-crown-5)BiI3 (1) ⋅ 0.5TIE (2), a halogen bonded adduct with tetraiodoethylene (TIE), typical bond donor. Single crystal structure analysis 2 suggests bonding interaction between crown ether complex TIE. The two compounds’ thermal, optical vibrational properties are investigated in comparison, differences pointing towards notable building bloc...