A convenient method for the synthesis of silver alkynyl compounds containing different nuclearities has been developed. The reaction of AgC[triple bond, length as m-dash]CBu(t) and AgX (X = CF3CO2(-), C2F5CO2(-)) in the presence of auxiliary ligands L (L = bipyridine, bipy; 1,10-phenanthroline, phen; 2-(diphenylphosphino)pyridine, dppy) under different conditions afforded a family of new silver...

In this paper,N-(2-Fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine (C12H16FNO2) optimized geometries and frequencies of the stationary point and energies in the ground state using DFT (B3LYP) methods with 6-311Gbasis set. The calculated HOMO and LUMO energies also confirmed that the charge transfer occurred within the molecule. Bond length and bond angles values forC12H16FNO2 were calculated by u...

A tight binding molecular dynamics calculation has been conducted to study the size and coordination dependence of bond length and bond energy of Pd atomic clusters of 1.2-5.4 nm in diameter. It has been found that the bond contraction associated with bond energy increases in the outermost layer about 0.24 nm in a radial way, yet in the core interior the bond length and the bond energy remain t...

The synthesis, structure, and reactivity of a thorium metallacyclopentadiene were comprehensively studied. The reduction of (η(5)-C5Me5)2ThCl2 () with potassium graphite (KC8) in the presence of diphenylacetylene (PhC[triple bond, length as m-dash]CPh) yields the first thorium metallacyclopentadiene complex (η(5)-C5Me5)2Th(η(2)-C4Ph4) (). Density functional theory (DFT) studies suggest that the...

β-Diketiminato cyclopentadienyl and ferrocenylethynyl germylenes LGeR (L = HC[C(Me)N-2,6-iPr2C6H3]2, R = Cp () and C[triple bond, length as m-dash]CFc ()) were prepared and utilized to synthesize the Ge[double bond, length as m-dash]Te bond species. Reactions of , , and LGeC[triple bond, length as m-dash]CPh () with an excess of Te powder proceeded in toluene under reflux successfully yielded g...

Reaction of cis-[RuCl2(dppm)2]BF4 with TlBF4 and 1,4-diethynyl-benzenes results in the formation of the vinylidene cations trans-[Ru([double bond, length as m-dash]C[double bond, length as m-dash]CH-C6H2-2,5-R2-4-C[triple bond, length as m-dash]CH)Cl(dppm)2](+) (R = H, Me). Subsequent reaction with [N(n)Bu4]Cl results in nucleophilic attack at the coordinated organic ligand, but not at the expe...