The dimer [{(?6-p-cymene)RuCl}2(?-Cl)2] (cymene=MeC6H4iPr) reacts with N,N?-bis(p-tolyl)-N??-(2-pyridinylmethyl)guanidine (H2L1) and N,N?-bis(p-tolyl)-N??-(2-diphenylphosphanoethyl)guanidine (H2L2), in the presence of NaSbF6, giving rise to chlorido compounds formula [(?6-p-cymene)RuCl(H2L)][SbF6] (H2L=H2L1 (1), H2L2 (2)) which guanidine ligand adopts a ?2 chelate coordination mode. related (S)...

Introduction of ring flipping concept for chair conformers in cyclohexane, and the isolation its twist conformer on a cold Cesium plate, has so far revolutionized our understanding conformations medium-sized rings even small cyclic molecule, like fluxional cyclopentane. Chemists have since built models pondered conformational dynamics molecules. The wheel-model Lipnick, et al.

Dissociative charge exchange of CH5+ with Cs, coupled with quasiclassical trajectory calculations on an ab initio PES for CH5, has been used to probe the structure of the CH5+ cation. Product kinetic energy release distributions and branching ratios for CH5 --> CH4 + H and CH5 --> CH3 + H2 have been compared. The agreement of the product branching ratios provides evidence for the fluxional natu...

[Cu4(mu-dppm)4(mu4-eta1,eta2-C[triple bond]C-)]2+ has been shown by 31P and 1H NMR studies to undergo two fluxional processes in solution, the oscillation of the C[triple bond]C2- unit inside the copper rectangle and the flipping of the diphosphines, and this has been supported by DFT(B3LYP) calculations.

The structure and electronic properties of gold nanoparticles (Au 12, Au 13, Au 14, Au 15, Au 20, Au 34, and Au 55) have been investigated using Born-Oppenheimer ab initio molecular dynamic simulations of 50 to 80 ps in order to have an insight in the recently proposed fluxional character of nanosized gold. The dynamic changes in shape, symmetry, and atomic coordination of atoms within clusters...

A new pyrrole based NNN-pincer ligand, 2,5-bis(3,5-dimethylpyrazolylmethyl)pyrrole 2, was readily synthesized in two steps from pyrrole in 56% yield. The lithiation of the pincer ligand 2 using n-BuLi led to isolation of the dimeric lithium complex, [Li{μ-C(4)H(2)N-2,5-(CH(2)Me(2)pz)(2)-N,N,N}](2) 4, in 23% crystalline yield. The transmetalation reaction of 4 with [Pd(PhCN)(2)Cl(2)] afforded th...

The geometry of cationic silicon clusters doped with vanadium, Si(n)V(+) (n=12-16), is investigated by using infrared multiple photon dissociation of the corresponding rare gas complexes in combination with ab initio calculations. It is shown that the clusters are endohedral cages, and evidence is provided that Si(16)V(+) is a fluxional system with a symmetric Frank-Kasper geometry.