The chemistry of transition metal carbynes, LnM≡CR, has historically been dominated by species bearing hydrocarbyl or amino ‘R’ substituents, with other elements appearing only sporadically. In recent years, carbynes and related ‘C1’ main-group particularly heavier the p-block, have begun to emerge. This review details pnictogen-functionalised C1 ligands, MCARn (A=P, As, Sb, Bi; n=0–3), includi...

Using a recently developed approach to constructing covalent network structures from linear carbyne, we identify by ab initio calculations a new carbon allotrope in R3m (D(3d)(5) symmetry that comprises six-fold helical chains with alternating sp(2)-type single and double bonds along the chains that are connected via zigzag benzene rings. This 6-fold carbene is characterized as a three-dimensio...

We perform extended calculations of the electronic structure and geometrical optimization of composed carbon structures where carbon acquires its sp (carbynes) or sp (graphene and aromatic components) hybrid character. We evaluate the electronic structure within the Density Functional Theory (DFT) in the Local Spin Density Approximation (LSDA), which provides a reliable estimate of the total ad...

The direct synthesis of nitrile from N2 under mild conditions is great importance and has attracted much interest. Herein, we report a conversion into via nitrile–alkyne cross-metathesis (NACM) process involving N2-derived Mo nitride. Treatment the nitride with alkyne in presence KOTf afforded an alkyne-coordinated nitride, which was then transformed MoV carbyne corresponding upon 1 e? oxidatio...

The dipotassium salts of maleic, fumaric and acetylenedicarboxylic acids were electrooxidized and the reaction products were analyzed qualitatively and quantitatively by UV/VIS and FT-IR spectroscopy. Acetylene, carbon dioxide and carbon monoxide, along with polyynes, are the products obtained from maleic and fumaric acids. The best acetylene yields are obtained from fumaric acid and not from m...