in this study the chemical properties of b6c4si and c16 clusters connected vitamin c have been investigated using density functional theory (dft). nmr parameters and homo- lumo gap energy are calculated by using density functional method (b3lyp) with 6-311g* basis set. calculations show that homo- lumo gap energy of vitamin c decreases after connecting to b6c4si or c16 cluster decreasing of hom...

Low-temperature (6)Li, (13)C, and (15)N NMR spectroscopies reveal that mixtures of n-BuLi and (1R,2S)-R'(2)NCH(R)CH(Ph)OLi (ROLi; R = Ph or Me; R'(2)N = pyrrolidino or Me(2)N) in THF/pentane afford a (n-BuLi)(3)(ROLi) (3:1) mixed tetramer and a C(2)-symmetric (n-BuLi)(2)(ROLi)(2) (2:2) mixed tetramer depending on the proportions of the reactants. The corresponding (n-BuLi)(ROLi)(3) (1:3) mixed ...

Complexes of benzo-15-crown-5 macrocycle with Li+ and Cs+ ions were investigated by 7Li and 133Cs NMr in a number of nonoqueous solutions. The resulting 1:1 complex with Li+ ion was found to be much more stable than that with Cs+ ion. With the exception of pyridine solutions the stabilities of the complexes varied inversely w...

The hindered internal rotations around the partial carbon-carbon double bond, nitrogen-carbon and carbon-carbon single bonds within the 2-(2-chloro-phenothiazine-l-yl)-3-(triphenylphosphoranylidene) butandioate has been experimentally studied by the dynamic H NMR spectroscopic in variable temperatures. The activation (∆H, ∆S, ∆G) and kinetic (kc, Ea) parameters have been calculated in a series ...