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- W4252183804 abstract "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." @default.
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- W4252183804 date "2019-05-17" @default.
- W4252183804 modified "2023-10-16" @default.
- W4252183804 title "Unusual Length Dependence of the Conductance in Cumulene Molecular Wires" @default.
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- W4252183804 doi "https://doi.org/10.1002/ange.201901228" @default.
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