The (dithiomethoxycarbonyljphosphine transfer reaction between Pd(PPhs), and W(CO),[PPhz(CS,Me)], 1, forms {Pd(PPh&,nr,n*(MeS,C)PPh,]],, 3, as the final product. The reaction proceeds via a $-coordination of the (3=S fragment to Pd, giving (Pd(PPh,)-[g,T1, n2-(MeS,C)PPh,]W(CO),}, 2 as an intermediate. Complexes 2 and 3 are characterized by X-ray diffraction analysis.

We performed a quasiclassical trajectory dynamics study on a model analytical 21-dimensional (7 active atoms) potential energy surface (PES) to examine in detail the mechanism of the hydrogen absorption in a simple (NaAlH(4))(2)Ti model system. The reaction involves a capture of H(2) by the Ti centre and formation of the (η(2)-H(2))Ti(NaAlH(3))(2) coordination complex containing the side-on bon...

The coordination chemistry of 1,1'-diisocyanoferrocene (1) was investigated. Its reaction with Cr(CO)5(THF) (2 equiv) affords (1)[Cr(CO)5]2, which exhibits eclipsed cyclopentadienyl rings with a synclinal arrangement of the two substituents. 1 behaves like an aryl isocyanide in this compound according to IR spectroscopic data, and its oxidation leads to a marked decrease of net electron donor a...

The reactions of the tetrahedral diphosphorus [Cp2Mo2(CO)4(η2-P2)] (1; Cp = C5H5) complex with Ag[Al{OC(CF3)3}4] (AgTEF) (A) and Ag[FAl{OC(C6F5)(C6F10)}3] (AgFAl) (B) were studied. The first reaction led to the formation of the [Ag2(η2-1)2(η1:η1-1)2][TEF]2 (2) dimer and the [Ag2(η1:η1-1)3] n [TEF]2n (3) coordination polymer, whereas the second reaction afforded the [Ag2(η1:η1-1)2(η1-CH2Cl2)2(η2...

Lanthanides possess similar chemical properties rendering their separation from one another a challenge of fundamental chemical and global importance given their incorporation into many advanced technologies. New separation strategies combining green chemistry with low cost and high efficiency remain highly desirable. We demonstrate that the subtle bonding differences among trivalent lanthanide...

The first two steps of methane dissociation on Rh(111) have been investigated using density-functional theory, focusing on the dependence of the catalyst's reactivity on the atomic coordination of the active metal site. We find that, although the barrier for the dehydrogenation of methane (CH4 --> CH3 + H) decreases as expected with the coordination of the binding site, the dehydrogenation of m...

The reaction between trimethylsilyl azide and pentaphenylborole was recently shown to produce the corresponding 1,2-azaborine. Investigating this transformation theoretically suggests that the reaction proceeds via coordination of the azide to the borole, rearrangement to a bicyclic species, and conversion to a kinetically favoured eight-membered BN3C4 heterocycle or expulsion of N2 to furnish ...

A nickel-catalyzed intermolecular [2 + 2] cycloaddition of conjugated enynes with alkenes has been developed. A variety of electron-deficient alkenes as well as electronically neutral norbornene and 1-decene were applicable to this reaction. The use of conjugated enynes circumvented possible side rections, such as oligomerizations and cyclotrimerizations. The isolation of reaction intermediate ...

new hetero-binuclear hg-cu schiff base complexes were prepared by reaction of 2,2'-[1,1'-(2,2-‎dimethylpropane-1,3-diyldinitrilo)-diethyldyne]diphenolato}copper(ii) (cul1) and 6,6'-x-2,2'-[(2,2-‎dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato copper(ii) [(x = ethoxy (cul2) and ‎methoxy (cul3)], with hgcl2 to give [cu(l1)hgcl2] (1), [cu(l2)hgcl2] (2), and [cu...

new hetero-binuclear hg-cu schiff base complexes were prepared by reaction of 2,2'-[1,1'-(2,2-‎dimethylpropane-1,3-diyldinitrilo)-diethyldyne]diphenolato}copper(ii) (cul1) and 6,6'-x-2,2'-[(2,2-‎dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato copper(ii) [(x = ethoxy (cul2) and ‎methoxy (cul3)], with hgcl2 to give [cu(l1)hgcl2] (1), [cu(l2)hgcl2] (2), and [cu(l3)hgcl2] (3), ‎res...