Journal
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 9, Issue 18, Pages 5364-5372Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.8b02051
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Funding
- Ministerio de Economia y Competitividad from Spain [MAT2016-78257-R]
- fondos FEDER [CTQ2015-70174-P]
- project Hierarchical Self Assembly of Polymeric Soft Systems, SASSYPOL, from the seventh Framework Programme (CEE) [607602]
- DGA/Fondos FEDER (construyendo Europa desde Aragon) [E31_17R, E47_17R]
- EPSRC QuEEN programme [EP/N017188/1]
- UK EPSRC [EP/M014452/1, EP/P027156/1, EP/N03337X/1]
- European Commission [767187 - QuIET]
- Iraqi Ministry of Higher Education [SL-20]
- Tikrit University (Iraq)
- EPSRC [EP/M005046/1, EP/M014169/1, EP/M029522/1]
- EPSRC [EP/M014169/1, EP/M005046/1, EP/M014452/1, EP/M029522/1, EP/N03337X/1, EP/P027156/1, EP/N017188/1] Funding Source: UKRI
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Electrical conductance across a molecular junction is strongly determined by the anchoring group of the molecule. Here we highlight the unusual behavior of 1,4-bis(1H-pyrazol-4-ylethynyl)benzene that exhibits unconventional junction current versus junction-stretching distance curves, which are peak-shaped and feature two conducting states of 2.3 X 10(-4) G(0) and 3.4 X 10(-4) G(0). A combination of theory and experiments is used to understand the conductance of single-molecule junctions featuring this new anchoring group, i.e., pyrazolyl. These results demonstrate that the pyrazolyl moiety changes its protonation state and contact binding during junction evolution and that it also binds in either end-on or facial geometries with gold contacts. The pyrazolyl moiety holds general interest as a contacting group, because this linkage leads to a strong double anchoring of the molecule to the gold electrode, resulting in enhanced conductance values.
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