Cryptophane-A, comprised of two cyclotriguaiacylenes joined by three ethylene linkers, is a prototypal organic host molecule that binds reversibly to neutral small molecules via London forces. Of note are trifunctionalized, water-soluble cryptophane-A derivatives, which exhibit exceptional affinity for xenon in aqueous solution. In this paper, we report high-resolution X-ray structures of crypt...

In this article the quantum chemically calculated charge density distribution of 18-crown-6 and the K+ . . .l8-crown-6 complex are compared with the charge density distribution of smaller molecules and corresponding complexes which can be considered as fragments of the 18-crown-6 molecule. An analysis of the charge density distribution in terms of atomic charge distribution according to the sto...

The interaction between hydronium ion and several crown ethers was studied via conductometry in nitromethane at 25 °C and 1H-NMR techniques. The stabilities of the resulting 1:1 complexes were determined from the conductance data and found to vary in the order DC18C6 > 18C6 > DB30C10 > DB24C8 > DB18C6 > ~B15C5 > DB21C7. For the first time, evidences for the formation of a 2:1 san...

The formation and stability of alkali metal complexes with crown ethers containing an anthraquinone unit has been investigated in methanol and acetonitrile solutions by potentiometric methods. Complexes of 1:1 stoichiometry were observed for all the studied systems; 2:1 complexes were only detected for the larger alkali cations (Rb and Cs) and with the ligand with the larger macrocyclic cavity ...

The synthesis of novel magnesium, copper, and metal-free porphyrazines, peripherally substituted with dithia-7-crown-2 (MPz(7)), dithia-15-crown-5 (MPz(15)), and dithia-18-crown-6 (MPz(18)) macrocycles is reported. These compounds are prepared starting from dicyanoethylene containing crown ethers 3, 2(1), and 2(2), respectively, which contain sulfur as well as oxygen heteroatoms. The "crowned" ...

New pyridylmethyl armed-monoazadithiaoxa- and monoazatrithia-12-crown-4 have been prepared. The structures of the Ag+ complexes of the new ligands were investigated by X-ray crystallography, 1H NMR titrations, and FAB-MS measurements. In all cases, the Ag+ complexes form dimetallo[3.3]para- or metacyclophane structures depending on the position of the N atom of the pyridine rings.

Complexes of 18-crown-6 with alkali-metal cations (Na', K', and Rb'), urea, and the uncomplexed crown ether were studied in V ~ C U O with the molecular dynamics method. Conformational data from these calculations (simulation times in the range from 6-15 ns) was compared with information from the Cambridge Structural Database. Despite the differences in condition between the simulations and the...

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- ...