Molecular dynamics simulations of amorphous Ni-P alloy formation by rapid quenching and atomic deposition.

A combined experimental and simulation study is carried out to compare the properties of amorphous Ni100-x P x alloys obtained by electroless deposition and rapid melt-quenching. The onset of crystallization of experimental electroless deposited amorphous films is measured by differential scanning calorimetry experiments. Classical molecular dynamics simulations using Embedded Atom Model-based interactions are performed to obtain glassy Ni-P by melt-quenching the liquid with various quenching rates, as well as via low-energy chemical deposition to mimic experimental electroless deposition. It is shown that the deposited amorphous and glassy states display similar short-range order. The amorphous deposit corresponds to a glassy state obtained with a cooling rate of 109 K s-1, indicating that deposition yields generally more relaxed amorphous structures. The appearance of phosphorus-enriched surface on the simulated deposited thin film, comparable to experimental observations, is discussed.

Synthesis, structure and reactivity of disila- and distanna ansa half-sandwich complexes of molybdenum and tungsten.

We present the synthesis and characterization of disila- and distanna ansa half-sandwich complexes of Group 6 transition metals. These compounds exhibit high ring strain within the ansa bridge, which is the key factor for the insertion of elemental chalcogens.

Synthesis of a bimetallic platinum-tungsten complex with a bridging micro-diboranyl-oxycarbyne moiety.

The novel bimetallic micro-diboranyl-oxycarbyne bridged platinum-tungsten complex [W{eta(1),micro-CO-B(NMe(2))-B(NMe(2))-(eta(5)-C(5)H(4))}(CO)(2){Pt(PPh(3))(2)}] (W-Pt) () has been synthesised by a two-step reaction, starting from the dilithiated half-sandwich compound Li[W(eta(5)-C(5)H(4)Li)(CO)(3)] () via the ansa-diboranyl-oxycarbyne tungsten complex [W{eta(1)-CO-B(NMe(2))B(NMe(2))(eta(5)-C(5)H(4))}(OC)(2)] () by use of stoichiometric amounts of B(2)(NMe(2))(2)Br(2) and [Pt(eta(2)-C(2)H(4))(PPh(3))(2)], respectively.