Probing Conformers and Adsorption Footprints at the Single-Molecule Level in a Highly Organized Amino Acid Assembly of (S)-Proline on Cu(110).
Establishing the nanoscale details of organized amino acid assemblies at surfaces is a major challenge in the field of organic-inorganic interfaces. Here, we show that the dense (4 x 2) overlayer of the amino acid, (S)-proline on a Cu(110) surface can be explored at the single-molecule level by scan...
| Publicado en: | Journal of the American Chemical Society Vol. 131; no. 29; pp. 10173 - 10182 |
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| Autores principales: | , , , |
| Formato: | Artículo |
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American Chemical Society
7/29/2009
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=43797156&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 43797156 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 7/29/2009 vid: 131 iid: 29 pid: 997 pub: American Chemical Society artinfo: ui: 43797156 10.1021/ja9020364 ppf: 10173 ppct: 9 formats: tig: atl: Probing Conformers and Adsorption Footprints at the Single-Molecule Level in a Highly Organized Amino Acid Assembly of (S)-Proline on Cu(110). aug: au: Forster, Matthew Dyer, Matthew S. Persson, Mats Raval, Rasmita affil: Surface Science Research Centre, Department of Chemistry, University of Liverpool, Liverpool, L69 3BX, U.K. Department of Applied Physics, Chalmers University of Technology, SE-412 96, Goteborg, Sweden su: Amino acids Proline Scanning tunneling microscopy Density functionals Pyrrolidine Amino group Adsorption (Chemistry) Infrared spectroscopy sug: subj: Amino acids Proline Scanning tunneling microscopy Density functionals Pyrrolidine Amino group Adsorption (Chemistry) Infrared spectroscopy ab: Establishing the nanoscale details of organized amino acid assemblies at surfaces is a major challenge in the field of organic-inorganic interfaces. Here, we show that the dense (4 x 2) overlayer of the amino acid, (S)-proline on a Cu(110) surface can be explored at the single-molecule level by scanning tunneling microscopy (STM), reflection absorption infrared spectroscopy (RAIRS), and periodic density functional theory (DFT) calculations. The combination of experiment and theory, allied with the unique structural rigidity of proline, enables the individual conformers and adsorption footprints adopted within the organized assembly to be determined. Periodic DFT calculations find two energetically favorable molecular conformations, projecting mirror-image chiral adsorption footprints at the surface. These two forms can be experimentally distinguished since the positioning of the amino group within the pyrrolidine ring leads each chiral footprint and associated conformer to adopt very different ring orientations, producing distinct contrasts in the STM images. DFT modeling shows that the two conformers can generate eight possible (4 x 2) overlayers with a variety of adsorption footprint arrangements. STM images simulated for each structural model enables a direct comparison to be made with the experiment and narrows the (4 x 2) overlayer to one specific structural model in which the juxtaposition of molecules leads to the formation of one-dimensional hydrogen bonded prolate chains directed along the [110] direction. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2009 holdings: @attributes: islocal: N |
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