Unusual Length Dependence of the Conductance in Cumulene Molecular Wires

Abstract: Cumulenes are sometimes described as “metallic” because an infinitely long cumulene would have the band structure of a metal. Herein, we report the single‐molecule conductance of a series of cumulenes and cumulene analogues, where the number of consecutive C=C bonds in the core is n=1, 2, 3, and 5. The [n]cumulenes with n=3 and 5 have almost the same conductance, and they are both more conductive than the alkene (n=1). This is remarkable because molecular conductance normally falls exponentially with length. The conductance of the allene (n=2) is much lower, because of its twisted geometry. Computational simulations predict a similar trend to the experimental results and indicate that the low conductance of the allene is a general feature of [n]cumulenes where n is even. The lack of length dependence in the conductance of [3] and [5]cumulenes is attributed to the strong decrease in the HOMO–LUMO gap with increasing length.

Object Details

• Location: Deutsche Nationalbibliothek Frankfurt am Main
• Extent: Online-Ressource
• Language: Englisch

References and Relationships

• Bibliographic citation: Unusual Length Dependence of the Conductance in Cumulene Molecular Wires ; volume:131 ; number:25 ; year:2019 ; pages:8466-8470 ; extent:5 ; Angewandte Chemie ; 131, Heft 25 (2019), 8466-8470 (gesamt 5)

Contributors, Places and Time

• Creator: Xu, Wenjun ; Leary, Edmund ; Hou, Songjun ; Sangtarash, Sara ; González, M. Teresa ; Rubio‐Bollinger, Gabino ; Wu, Qingqing ; Sadeghi, Hatef ; Tejerina, Lara ; Christensen, Kirsten E. ; Agraït, Nicolás ; Higgins, Simon J. ; Lambert, Colin J. ; Nichols, Richard J. ; Anderson, Harry L.

Further information

• DOI: 10.1002/ange.201901228
• URN: urn:nbn:de:101:1-2022081106382241837933
• Rights: Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
• Last update: 21.03.8024, 3:12 AM CET