التفاصيل البيبلوغرافية
| العنوان: |
Unusual Length Dependence of the Conductance in Cumulene Molecular Wires. |
| المؤلفون: |
Xu, Wenjun1, Leary, Edmund2,3 e.leary@liverpool.ac.uk, Hou, Songjun4, Sangtarash, Sara4, González, M. Teresa5, Rubio‐Bollinger, Gabino6, Wu, Qingqing4, Sadeghi, Hatef4, Tejerina, Lara1, Christensen, Kirsten E.1, Agraït, Nicolás5,6, Higgins, Simon J.2, Lambert, Colin J.4 c.lambert@lancaster.ac.uk, Nichols, Richard J.2,3 nichols@liverpool.ac.uk, Anderson, Harry L.1 harry.anderson@chem.ox.ac.uk |
| المصدر: |
Angewandte Chemie. 6/17/2019, Vol. 131 Issue 25, p8466-8470. 5p. |
| مصطلحات موضوعية: |
*ALKENES, *CARBON-carbon bonds, *CUMULENES, *NANOWIRES, *COMPUTER simulation |
| مستخلص: |
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. [ABSTRACT FROM AUTHOR] |
| قاعدة البيانات: |
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