Room Temperature Dehydrogenation of Ethane to Ethylene

Abstract

The transient titanium alkylidyne, (PNP)Tit C t Bu (PNP = N[2-P i Pr 2 -4-methylphenyl] 2 À ), activates a CÀ H bond of ethane at room temperature, and a β-hydrogen of the resulting ethyl ligand is subsequently transferred to the adjacent alkylidene ligand to form an ethylene adduct of titanium. Treatment of the ethylene complex with twoelectron oxidants such as organic azides results in extrusion of ethene concomitant with formation of a mononuclear titanium imido complex.

Molecular titanium nitrides: nucleophiles unleashed

“…This is similar to reported Ti–N distances in TiNSiMe 3 functionalities, 65–69 although some shorter derivatives have been reported to be as low as ∼1.6 Å. 70 The Ti–N–Si is slightly bent at nitrogen at 168.06(1)° (Fig. 6, Table 1).…”

N–N bond cleavage in diazoalkanes with a titanium alkylidene

“…Consequently, the N-C distance has elongated to that expected for a single bond (1.441(3) Å). Overall, complex 1 resembles the reported imido-alkyl species, (PNP)Ti@N[Ar](CH 2 t Bu) [11], (PNP)Ti@N[1-adamantyl](CH 2 t Bu) [12] and (PNP)Ti@N[SiMe 3 ](OTf) [13].…”

Exploring the Oxidative‐Addition Pathways of Phenyl Chloride in the Presence of PdIIAbnormal N‐Heterocyclic Carbene Complexes: A DFT Study

“…[50] In complex 5,t wo methoxide ligands are orientatedi nacis fashion. [51] In the transition state [5-8]°,t he PdÀ C 3 ipso bond length was calculated to be 2.358 and the C 3 ipso À Cl 3 bond shows elongated length of 2.293 comparedw ith the free phenylc hloride (1.744 ). 8), the palladium(II)s pecies 5 undergoes oxidative addition in the presence of PhCl, which leads to intermediate 8 via the transition state [5][6][7][8]°(see the SupportingI nformation, Scheme S2).…”