This work describes reactions of heteroallenes with diamido-diamine cyclam-based Zr(iv) complexes of the general formula (Bn2Cyclam)ZrX2 (X = O(t)Bu, , O(i)Pr, , SPh, , NH(t)Bu, ) as well as the di-orthometallated species ((C6H4CH2)2Cyclam)Zr, . The reactions of isocyanates or isothiocyanates with , or resulted in the formation of N-bonded ureate or thioureate cyclam complexes upon [2 + 2] cycl...

The synthesis, structure, and reactivity of a thorium metallacyclopentadiene were comprehensively studied. The reduction of (η(5)-C5Me5)2ThCl2 () with potassium graphite (KC8) in the presence of diphenylacetylene (PhC[triple bond, length as m-dash]CPh) yields the first thorium metallacyclopentadiene complex (η(5)-C5Me5)2Th(η(2)-C4Ph4) (). Density functional theory (DFT) studies suggest that the...

In nature, atoms form bonds with other atoms to form molecules, but these bonds can be of different types, for example single or double bonds. We can easily perceive these bonds, but assigning types to each bond is harder. This requires assigning bonds such that: • All carbon atoms have only one double bond • Pyrrol NH group have no double bonds • Pyridine N groups have only one double bond • H...

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...

The ceramides active in this system have the three configuration and a triple or trans double bond. Ceramides containing the naturally occurring erythro isomers of sphingosine (2) and those with a cis double bond or no double bond are much less active. Since UDP-gala&se appeared to be the most probable precursor of the gala&se portion of cerebrosides, it has been postulated that cerebrosides mi...

The chelate complex [Pd(κ(2)-C,O-C6H4CH2O-2)(bpy)] () reacts with acetonitrile, cyanamides, or carbodiimides, in the presence of AgOTf (1 : 5 : 1 molar ratio) and residual water, to form complexes [Pd{κ(2)-C,N-C6H4{CH2OC([double bond, length as m-dash]NX)Y}-2}(bpy)](OTf), where X = H, Y = Me (), NMe2 (), NEt2 (), X = R, Y = NHR (R = (i)Pr (), Tol ()), as a result of the insertion of the unsatur...