doi:10.1021/acs.jpclett.8b02051engHerrer, I.L.Ismael, A.K.Milán, D.C.Vezzoli, A.Martín, S.González-Orive, A.Grace, I.Lambert, C.Serrano, J.L.Nichols, R.J.Cea, P.Unconventional Single-Molecule Conductance Behavior for a New Heterocyclic Anchoring Group: PyrazolylART-2018-107825Electrical conductance across a molecular junction is strongly determined by the anchoring group of the molecule. Here we highlight the unusual behaviour of 1,4-bis(1H-pyrazol-4- ylethynyl)benzene that exhibits unconventional junction current vs. junction stretching distance curves, which are peak-shaped and feature two conducting states of 2.3·10-4 G0 and 3.4·10-4 G0. 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 it also binds in either end-on or facial geometries with gold contacts. Pyrazolyl moiety holds general interest as a contacting group, since this linkage leads to a strong double anchoring of the molecule to the gold electrode resulting in enhanced conductance values.2018http://zaguan.unizar.es/record/7557010.1021/acs.jpclett.8b02051http://zaguan.unizar.es/record/75570oai:zaguan.unizar.es:75570info:eu-repo/grantAgreement/ES/MINECO/MAT2016-78257-Rinfo:eu-repo/grantAgreement/ES/MINECO/CTQ2015-70174-PThis project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No H2020 767187-QuIETinfo:eu-repo/grantAgreement/EC/H2020/767187/EU/Quantum Interference Enhanced Thermoelectricity/QuIETinfo:eu-repo/grantAgreement/EC/FP7/607602/EU/Hierarchical Self Assembly of Polymeric Soft Systems/SASSYPOLinfo:eu-repo/grantAgreement/ES/DGA/E47-17Rinfo:eu-repo/grantAgreement/ES/DGA/E31-17RJournal of Physical Chemistry Letters 9, 19 (2018), 5364-5372byhttp://creativecommons.org/licenses/by/3.0/es/info:eu-repo/semantics/openAccess