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...

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 ...

Aiming at a fundamental understanding of the synergistic effects different additives on electrochemical Mg deposition/dissolution in an ionic liquid, we have systematically investigated these processes combined and theoretical study, using 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl) imide (BMP-TFSI) as solvent cyclic ether (18-crown-6) magnesium borohydride additives. Both crown ...

The choice of appropriate definitive restoration endodontically treated teeth should be guided by the amount remaining hard tissues as well functional and aesthetic considerations. Post and-core materials with biomechanical properties similar to dentin could also advantageous in reducing risk root fractures. high performance polymer Poly-ether-ether-ketone (PEEK) is an example one such type mat...

(R,R)- and (S,S)-enantiomers of anthracene-containing pyridino-18-crown-6 ether having tert-butyl groups at the stereogenic centers were prepared with aim achieving higher enantioselectivity than for reported (S,S)-analogue isobutyl groups. The enantiomeric recognition abilities new sensor molecules toward chiral protonated primary amines amino acid esters studied in acetonitrile by UV–vis fluo...

In the title complex, [Na(C(2)HCl(2)O(3)S(2))(C(10)H(20)O(5))], there are two independent complex units in the asymmetric unit, one of which has a 55:45% disorder in the 15-crown-5 component. The coordination sphere about the Na atom in each complex unit comprises five bonds to O atoms of the crown ether [Na-O = 2.390 (7)-2.466 (6) Å] and one to a thio-sulfate O atom [Na-O = 2.305 (4) and 2.447...

Experimental (IR and Raman) and theoretical (Kohn-Sham calculations) methods are used in a combined analysis aimed at refining the available structural data concerning the molecular guests in channels formed by stacked dibenzo-18-crown-6 (DB18C6) crown ether. The calculations are performed for a simplified model comprising isolated DB18C6 unit and its complexes with either H2O or H3O+ guests, w...