The competence between the possible reaction pathways in the reaction of different cycloalkanes and o-benzyne has been computationally explored. Systems able to undergo complete desaturation by consecutive double hydrogen atom transfer reactions are suggested.

The preparation and characterisation of an oxoiron(IV) species with monoamido ligation are described. Reactivity studies revealed the important role of the amido ligand in enhancing the ability of oxoiron(IV) complexes to promote hydrogen atom transfer from external alkanes.

In each of the title isomeric compounds, C9H7.3N·C7H3.7ClNO4, (I), and C9H8N·C7H3ClNO4, (II), of iso-quinoline with 3-chloro-2-nitro-benzoic acid and 4-chloro-2-nitro-benzoic acid, the two components are linked by a short hydrogen bond between a base N atom and a carb-oxy O atom. In the hydrogen-bonded unit of (I), the H atom is disordered over two positions with N and O site occupancies of 0.3...

Hydrogen atom adducts to tryptophan were generated for the first time in the gas phase by collisional electron transfer to protonated tryptophan at 7170 eV kinetic energy. The radicals showed fast dissociations by C(α)-C(β) bond cleavage and cross-ring cleavages occurring on the 7.3 μs time scale. The mechanism of the C(α)-C(β) bond cleavage was explained by ab initio computational analysis of ...

The experimental evidence presented in this manuscript suggest against the widely accepted single electron/proton transfer mechanism for P450 catalyzed N-dealkylations and provides strong support for a hydrogen atom abstraction mechanism.

The dehydrogenation of unactivated alkanes is an important transformation both in industrial and biological systems. Recent efforts towards this reaction have revolved around high temperature, organometallic C-H activation by noble metal catalysts that produce alkenes and hydrogen gas as the sole products. Conversely, natural desaturase systems proceed through stepwise hydrogen atom transfer at...

Oxidation of phenols by heterodinuclear Cu(III)(μ-O)2Ni(III) complexes containing nucleophilic oxo groups occurs by both proton coupled electron transfer (PCET) and hydrogen atom transfer (HAT) mechanisms; the exact mechanism depends on the nature of the phenol as well as the substitution pattern of the ligand bound to Cu.