Stoichiometric-deficient lithiation of (2,6-diisopropylphenyl)(4-methylpyridin-2-yl)amine and reaction with [(cod)PdCl2] (cod = 1,5-cyclooctadiene) yield a dimeric Pd complex. X-ray structural analysis of this complex reveals a very short Pd-Pd distance (2.429 A). Topological analysis of the electron density and the electron localization function from scalar relativistic density functional theo...

A reaction of [PdCl2(cod)] (cod = 1,5-cyclooctadiene) and an E/Z mixture of quinoline-2-carbaldehyde (pyridine-2-carbonyl)hydrazone (HL) gave two kinds of Pd(II) mononuclear complexes, [PdCl(Z-L-κ(3)N,N',N'')] (1) and [PdCl2(E-HL'-κ(2)N,N')] (2), where L(-) is the deprotonated hydrazonate anion and HL' is the quinolinium-hydrazonate zwitterionic form of HL. Complex 2 is gradually converted to 1...

Reaction of a series of linked diimidazolium dibromide salts with one-half equivalent of [Rh(mu-OAc)(COD)](2) under reflux conditions generates a series of carbene-anchored/pendent-imidazolium complexes, [RhBr(COD)((R)C(H)-eta(1)-C(eth))][Br] ((Me)C(H)-eta(1)-C(eth) = ethylene[(N-methyl)imidazolium][(N-methyl)imidazole-2-ylidene] and (tBu)C(H)-eta(1)-C(eth) = ethylene[(N-tert-butyl)imidazolium]...

Monometallic complexes of the tetrakis(pyrazolyl)borate ligand [ML(2){B(pz)(4)}] {M = Rh, Ir; L(2) = eta-cod, eta-nbd, (CO)(2), (CO)(PPh(3))} have two free pyrazolyl rings which can be coordinated to a second ML(2) unit to give the dimeric compounds [L(2)M{mu-B(pz)(4)}ML(2)](+), and to a metal halide to give heterobimetallic species [L(2)M{mu-B(pz)(4)}M'Cl(2)]. (1)H NMR spectroscopy shows that ...

Peridynamics (PD) is a nonlocal continuum theory based on integro-differential equations without spatial derivatives. The elongation fracture criterion is implicitly incorporated in the PD theory, and fracture is a natural outcome of the simulation. On the other hand, a new fracture criterion based on the crack opening displacement combined with peridynamic (PD-COD) is proposed. When the relati...

A variety of Pd(II) complexes containing the neutral N,P,N-ligand bis(2-picolyl)phenylphosphine (N(py)PN(py)) have been synthesised and characterized by IR and NMR spectroscopy and X-ray diffraction. The neutral complex [PdCl(2)(N(py)PN(py)-N,P)] (1) has been selectively obtained in high yield by reaction of [PdCl(2)(NCPh)(2)] with the ligand in dichloromethane. The cationic complexes [PdCl(N(p...

The reaction of the primary phosphane (ferrocenylmethyl)phosphane [PH(2)CH(2)Fc, ] with an equimolar amount of [M(cod)Cl(2)] (cod = 1,5-cyclooctadiene, M = Pd, Pt) gave the unusual monobridged M(ii) dinuclear complexes of formula [(cod)ClM(micro-PHCH(2)Fc)M(PH(2)CH(2)Fc)Cl(2)] [M = Pt, ; M = Pd, ]. The mechanism leading to and involves the preliminary formation of cis-[M(PH(2)CH(2)Fc)(2)Cl(2)] ...

Treatment of [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] (1) with one equivalent of [Ni(cod)2] (cod = 1,5-cyclooctadiene) in toluene at 60–80 °C and subsequent addition of diphenylacetylene, trans-stilbene or triphenylphosphane afforded the nickel(0) complexes [LNi{(μ3-NH)3Ti3(η5-C5Me5)3(μ3-N)}] (L = PhCCPh (2), PhCH≡CHPh (3), PPh3 (4)). The nickel(II) complex [I2Ni{(μ3-NH)3Ti3(η5-C5Me5)3(μ3-N)}] (5) was pre...