The intramolecular C-H insertion of the Mes*-substituted phosphanylidenecarbene [Mes*P=C:] (Mes* = 2,4,6-t-Bu3C6H2) and physicochemical properties of the cyclized product, 6,8-di-tert-butyl-3,4-dihydro-4,4-dimethyl-1-phosphanaphthalene were studied based on ab initio calculations. Whereas the alternative Fritsch-Buttenberg-Wiechell-type rearrangement requires almost no activation energy, the in...

Reactive molecular dynamics simulations were used to investigate reactions between di- tert -butyl disulfide and ferrous surfaces. Tribochemical characterized with without a model base oil, n -dodecane, on either Fe(100) or H-passivated Fe 2 O 3 Reaction yield increased both temperature pressure for all systems. The presence of the oil did not significantly affect reaction pathway, but impeded ...

In the centrosymmetric mol-ecular structure of the title compound [Pt(2)(C(6)H(14)P)(2)H(2)(C(9)H(21)P)(2)], each Pt(II) atom is bound on one side to a phosphane ligand (PiPr(3)) and a hydrido ligand. On the other side, it is bound to two phosphanide ligands (μ-PiPr(2)), which engage a bridging position between the two Pt(II) atoms, forming a distorted square-planar structure motif. The Pt⋯Pt d...

The asymmetric unit of the title compound [Mn(NCS)(2)(C(9)H(13)N)(4)] consists of one Mn(II) cation located on a center of inversion, one thio-cyanato anion, one 3-tert-butyl-pyridine ligand and one 4-tert-butyl-pyridine ligand in general positions. The tert-butyl group of the 4-tert-butyl-pyridine ligand is disordered over two sets of sites in a 0.60:0.40 ratio. The Mn(II) cation is coordinate...

The asymmetric unit of the title compound, [Cd(NCS)(2)(C(9)H(13)N)(4)], consists of one Cd(II) cation located on a centre of inversion, one thio-cyanate anion, one 3-tert-butyl-pyridine ligand and one 4-tert-butyl-pyridine ligand in general positions. The tert-butyl group of the 4-tert-butyl-pyridine ligand is disordered over two sets of sites in a 0.25:0.75 ratio and was refined using a split ...