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One-Pot Synthesis of High-Strained Metal Vinylidene and Metal Carbyne.

Fanping HuangZhewei YanXuejuan ZhengYapeng CaiHong ZhangHaiping Xia
Published in: Chemistry (Weinheim an der Bergstrasse, Germany) (2022)
A novel one-pot reaction producing a metal vinylidene structure in a five-membered ring by cyclization of a multiyne has been achieved. The ring strain and the high stability of the cyclic metal vinylidene complexes have been analyzed experimentally and computationally. The metal vinylidene unit in a fused-ring complex is unreactive to both nucleophiles and electrophiles. It reacts however at the nearby carbonyl group achieving the unprecedented conversion of metal tributing factors for the aromaticity-driven process has been studied by DFT calculations.
Keyphrases
  • molecular dynamics simulations
  • molecular dynamics