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000862189 1001_ $$0P:(DE-HGF)0$$aSeidel, Johannes$$b0$$eCorresponding author
000862189 245__ $$aAdsorption-induced pyramidal distortion of the trimetallic nitride core inside the endohedral fullerene Sc 3 N @ C 80 on the Ag(111) surface
000862189 260__ $$aWoodbury, NY$$bInst.$$c2018
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000862189 520__ $$aOur ability to understand and tailor metal-organic interfaces is mandatory to functionalize organic complexes for next generation electronic and spintronic devices. For magnetic data storage applications, metal-carrying organic molecules, the so-called single molecular magnets (SMM) are of particular interest as they yield the possibility to store information on the molecular scale. In this work, we focus on the adsorption properties of the prototypical SMM Sc3N@C80 grown in a monolayer film on the Ag(111) substrate. We provide clear evidence of a pyramidal distortion of the otherwise planar Sc3N core inside the carbon cage upon the adsorption on the Ag(111) surface. This adsorption-induced structural change of the Sc3N@C80 molecule can be correlated to a charge transfer from the substrate into the lowest unoccupied molecular orbital of Sc3N@C80, which significantly alters the charge density of the fullerene core. Our comprehensive characterization of the Sc3N@C80-Ag(111) interface hence reveals an indirect coupling mechanism between the Sc3N core of the fullerene molecule and the noble metal surface mediated via an interfacial charge transfer. Our work shows that such an indirect coupling between the encapsulated metal centers of SMM and metal surfaces can strongly affect the geometric structure of the metallic centers and thereby potentially also alters the magnetic properties of SMMs on surfaces.
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000862189 7001_ $$0P:(DE-Juel1)128774$$aKumpf, Christian$$b4$$ufzj
000862189 7001_ $$0P:(DE-HGF)0$$aCinchetti, Mirko$$b5
000862189 7001_ $$0P:(DE-HGF)0$$aAeschlimann, Martin$$b6
000862189 7001_ $$0P:(DE-Juel1)139025$$aStadtmüller, Benjamin$$b7
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000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1002/anie.201705426
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/nmat2133
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1021/om401107f
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0953-8984/29/2/023001
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.ccr.2008.12.014
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/366123a0
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1021/cr300297r
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1002/chem.200900728
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.80.081403
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1021/nl2028409
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1021/ja301044p
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.111.167203
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1021/jp305438h
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.114.087201
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.susc.2006.12.035
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.119.237202
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1021/om5000387
000862189 999C5 $$2Crossref$$oEndohedral Fullerenes: Electron Transfer and Spin 2017$$tEndohedral Fullerenes: Electron Transfer and Spin$$y2017
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/43415
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1039/B704143H
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.59.965
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0034-4885/68/4/R01
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0167-5729(93)90025-K
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.74.035404
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.104.036102
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.66.035107
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.susc.2011.01.033
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.cpc.2018.06.009
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.87.045421
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0079-6816(98)00012-4
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1021/jp5078104
000862189 999C5 $$1M. J. Frisch$$2Crossref$$oM. J. Frisch Gaussian16 Revision B.01 2016$$tGaussian16 Revision B.01$$y2016
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.86.075419
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0957-4484/25/38/385602
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.86.195412
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/1367-2630/12/8/083038
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.81.125432
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1002/1521-3765(20021004)8:19%3C4528::AID-CHEM4528%3E3.0.CO;2-8
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1021/ja001984v
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1039/b412338g
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1021/ja066437+
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1039/C4CP04595E
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.surfrep.2015.04.001
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.100.136103
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.physe.2015.03.003
000862189 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/nmat4902