f-Element/crown ether complexes. Crown conformations in hydrogen-bonded complexes of hydrated actinide salts

Structural Study of Mismatched Disila-Crown Ether Complexes

Mismatched complexes of the alkali metals cations Li+ and Na+ were synthesized from 1,2-disila[18]crown-6 (1 and 2) and of K+ from 1,2,4,5-tetrasila[18]crown-6 (4). In these alkali metal complexes, not all crown ether O atoms participate in the coordination, which depicts the coordination ability of the C-, Si/C-, and Si-bonded O atoms. Furthermore, the inverse case—the coordination of the larg...

Manganese(II)-lithium and -sodium inverse crown ether (ICE) complexes.

Extending to transition metals, the class of compounds known as inverse crown ethers, two mixed alkali metal-manganese(II) amide ring compounds with oxo cores have been synthesised and crystallographically characterised, together with an oxo-free alkyl-amido precursor.

Dithiolene complexes as metallo-ligands: a crown-ether approach

Role of vibrational anharmonicity in atmospheric radical hydrogen-bonded complexes.

Harmonic and anharmonic vibrational frequency calculations are reported for the most stable hydrogen bonded complexes formed between the hydroperoxyl radical and formic, acetic, nitric, and sulfuric acids which are of atmospheric interest. A comparison between the calculated IR spectra of the hydrogen bonded complexes with the corresponding separate monomers is also reported with the aim to fac...

Charge transfer in some complexes of crown ether and of thiacrown ether with dihalogens: DFT study.

The present study was carried out by focusing on the interaction between molecular complexes crown and thiacrown ethers such as 15-crown-5 (15C5), thia-15-crown-5 (T15C5), dithia-15-crown-5 (DT15C5) with homogeneous and heterogeneous dihalogens (XY) such as I2, IBr, ICl, Br2, Cl2 in the gas phase and in dichloromethane solvent through applying density function theory (DFT) as well as Gaussian 9...