000075570 001__ 75570
000075570 005__ 20210104111915.0
000075570 0247_ $$2doi$$a10.1021/acs.jpclett.8b02051
000075570 0248_ $$2sideral$$a107825
000075570 037__ $$aART-2018-107825
000075570 041__ $$aeng
000075570 100__ $$0(orcid)0000-0002-3576-5156$$aHerrer, I.L.$$uUniversidad de Zaragoza
000075570 245__ $$aUnconventional Single-Molecule Conductance Behavior for a New Heterocyclic Anchoring Group: Pyrazolyl
000075570 260__ $$c2018
000075570 5060_ $$aAccess copy available to the general public$$fUnrestricted
000075570 5203_ $$aElectrical 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.
000075570 536__ $$9info:eu-repo/grantAgreement/ES/MINECO/MAT2016-78257-R$$9info:eu-repo/grantAgreement/ES/MINECO/CTQ2015-70174-P$$9This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No H2020 767187-QuIET$$9info:eu-repo/grantAgreement/EC/H2020/767187/EU/Quantum Interference Enhanced Thermoelectricity/QuIET$$9info:eu-repo/grantAgreement/EC/FP7/607602/EU/Hierarchical Self Assembly of Polymeric Soft Systems/SASSYPOL$$9info:eu-repo/grantAgreement/ES/DGA/E47-17R$$9info:eu-repo/grantAgreement/ES/DGA/E31-17R
000075570 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttp://creativecommons.org/licenses/by/3.0/es/
000075570 590__ $$a7.329$$b2018
000075570 591__ $$aCHEMISTRY, PHYSICAL$$b28 / 148 = 0.189$$c2018$$dQ1$$eT1
000075570 591__ $$aNANOSCIENCE & NANOTECHNOLOGY$$b18 / 94 = 0.191$$c2018$$dQ1$$eT1
000075570 591__ $$aPHYSICS, ATOMIC, MOLECULAR & CHEMICAL$$b4 / 36 = 0.111$$c2018$$dQ1$$eT1
000075570 591__ $$aMATERIALS SCIENCE, MULTIDISCIPLINARY$$b36 / 293 = 0.123$$c2018$$dQ1$$eT1
000075570 592__ $$a3.618$$b2018
000075570 593__ $$aMaterials Science (miscellaneous)$$c2018$$dQ1
000075570 593__ $$aPhysical and Theoretical Chemistry$$c2018$$dQ1
000075570 593__ $$aNanoscience and Nanotechnology$$c2018$$dQ1
000075570 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000075570 700__ $$aIsmael, A.K.
000075570 700__ $$aMilán, D.C.
000075570 700__ $$aVezzoli, A.
000075570 700__ $$0(orcid)0000-0001-9193-3874$$aMartín, S.$$uUniversidad de Zaragoza
000075570 700__ $$aGonzález-Orive, A.
000075570 700__ $$aGrace, I.
000075570 700__ $$aLambert, C.
000075570 700__ $$0(orcid)0000-0001-9866-6633$$aSerrano, J.L.$$uUniversidad de Zaragoza
000075570 700__ $$aNichols, R.J.
000075570 700__ $$0(orcid)0000-0002-4729-9578$$aCea, P.$$uUniversidad de Zaragoza
000075570 7102_ $$12013$$2765$$aUniversidad de Zaragoza$$bDpto. Química Orgánica$$cÁrea Química Orgánica
000075570 7102_ $$12012$$2755$$aUniversidad de Zaragoza$$bDpto. Química Física$$cÁrea Química Física
000075570 773__ $$g9, 19 (2018), 5364-5372$$pJOURNAL OF PHYSICAL CHEMISTRY LETTERS$$tJournal of Physical Chemistry Letters$$x1948-7185
000075570 8564_ $$s661355$$uhttps://zaguan.unizar.es/record/75570/files/texto_completo.pdf$$yVersión publicada
000075570 8564_ $$s134317$$uhttps://zaguan.unizar.es/record/75570/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000075570 909CO $$ooai:zaguan.unizar.es:75570$$particulos$$pdriver
000075570 951__ $$a2021-01-04-11:06:03
000075570 980__ $$aARTICLE