Bond-Scission-Induced Structural Transformation from Cumulene to Diyne Moiety and Formation of Semiconducting Organometallic Polyyne

J Am Chem Soc. 2020 May 6;142(18):8085-8089. doi: 10.1021/jacs.0c01925. Epub 2020 Apr 27.

Abstract

The structural transformation from symmetric cumulene to broken-symmetry polyyne within a one-dimensional (1-D) atomic carbon chain is a signature of Peierls distortion. Direct observation of such a structural transformation with single-bond resolution is, however, still challenging. Herein, we design a molecule with a cumulene moiety (Br2C═C═C═CBr2) and employ STM tip manipulation to achieve the molecular skeleton rearrangement from a cumulene to a diyne moiety (Br-C≡C-C≡C-Br). Furthermore, by an on-surface reaction strategy, thermally induced entire debromination (:C═C═C═C:) leads to the formation of a 1-D organometallic polyyne (-C≡C-C≡C-Au-) with a semiconducting characteristic, which implies that a Peierls-like transition may occur in a rationally designed molecular system with limited length.