The local adsorption geometry and electronic structure of alanine on Cu{110}

Jones, Glenn; Jones, L. B.; Thibault-Starzyk, Frédéric; Seddon, Elaine A.; Raval, Rasmita; Jenkins, Stephen J.; Held, Georg

doi:10.1016/j.susc.2006.02.033

Cited by 97 publications

(220 citation statements)

References 33 publications

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“…In the multilayer regime, stable below room temperature, the molecules are predominantly in a zwitterionic state, as expected for solid alanine and as revealed by the binding energy of the N1s doublet detected in the XPS spectra (see Table 3) [141]. The presence of a doublet in the C1s region and of two convoluted peaks in the O1s one indicates that adsorption occurs in two different moieties, either neutral and zwitterionic species (as in the case of Gly/Pt(111) [38]) or surface and bulk species.…”

Section: Alanine Adsorption At Cu Surfacessupporting

confidence: 54%

“…We mention that this behaviour is indicative of a strong molecule-metal interaction and is indeed not observed on less reactive substrates as Ag [51; 54]. The strong similarity of the XPS and NEXAFS spectra recorded for the 2 −2 5 3 and the achiral pseudo-(3×2) chemisorbed overlayers [141] suggests that the molecules in phases III and IV are in similar environments in terms of alignment of the two oxygen atoms with respect to the <1-10> direction and the out-of-plane tilt of the carboxylate group. XPS results [141] find large chemical shifts in the C 1s, N 1s, and O 1s levels of the alanine multilayer and of the chemisorbed and pseudo-(3×2) alaninate species.…”

Section: Alanine Adsorption At Cu Surfacesmentioning

confidence: 80%

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Adsorption and self-assembly of bio-organic molecules at model surfaces: A route towards increased complexity

Costa

Pradier

Tielens

et al. 2015

Surface Science Reports

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Understanding the bio-physical-chemical interactions at nanostructured biointerfaces and the assembling mechanisms of so-called hybrid nano-composites is nowadays a keyissue for nanoscience in view of the many possible applications foreseen. The contribution of surface science in this field is noteworthy since, using a bottom-up approach, it allows the investigation of the fundamental processes at the basis of complex interfacial phenomena and thus it helps to unravelthe elementary mechanisms governing them. Nowadays it is well demonstrated that a wide variety of different molecular assemblies can form upon adsorption of small biomolecules at surfaces. The geometry of such self-organized structures can often be tuned by a careful control of the experimental conditions during the deposition process. Indeed an impressive number of studies exist (both experimental and -to a lesser extendtheoretical), which demonstrate the ability of molecular self-assembly to create different structural motifs in a more or less predictable manner, by tuning the molecular building blocks as well as the metallic substrate. In this frame, amino acidsand small peptides at surfaces are key, basic, systems to be studied. The amino acidsstructure is simple enough to serve as a model for the chemisorption of biofunctional molecules, but their adsorption at surfaces has applications in surface functionalization, in enantiospecific catalysis, biosensing, nanoparticles shape control or in emerging fields such as "green" corrosion inhibition. In this paper we review the most recent advancements in this field. We will start from amino acids adsorption at metal surfaces and we will evolve then in the direction of more complex systems, in thelight of the latest improvements of surface science techniques and of computational methods. On one side, we will focus on amino acids adsorption at oxide surfaces, on the other on peptide adsorption both at metal and oxide substrates. Particular attention will be drawn to the added value provided by the combination of several experimental surface science techniques and to the precious contribution of advanced complementary computational methods to resolve the details of systems of increased complexity. Finally, some hints into experiments performed in the presence of water and then characterized in UHV and in the related theoretical work will be presented. This is a further step towards abetter approximation of real biological systems. However, since the methods employed are often not typical of surface science, this topic is not developed in details.2

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Section: Alanine Adsorption At Cu Surfacessupporting

confidence: 54%

Section: Alanine Adsorption At Cu Surfacesmentioning

confidence: 80%

Adsorption and self-assembly of bio-organic molecules at model surfaces: A route towards increased complexity

Costa

Pradier

Tielens

et al. 2015

Surface Science Reports

View full text Add to dashboard Cite

show abstract

“…The structure of alanine on Cu(110) was determined via calculations to be very similar to that of glycine, as might be expected [6]. The structure from these calculations was subsequently found to be in excellent agreement with high resolution experimental data [7].…”

Section: Theoretical Studies Of Amino Acid Adsorption On Cu Surfacessupporting

confidence: 57%

Final Technical Report for DOE Grant DE-FG02-03ER15473 “Molecular Level Design of Heterogeneous Chiral Catalysis”

Sholl¹,

Gellman²

2007

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The production of enantiomerically pure chiral compounds is of great importance in the pharmaceutical industry. Although processes involving chiral catalysis and separations involving solid surfaces are known, the molecular-scale details of these processes are not well understood. This lack of understanding strongly limits the development of new chiral processes. Our collaborative research effort examines several intertwined aspects of chirality and enantioselectivity at catalytically active metal surfaces. At Carnegie Mellon, our efforts focus on the development of chirally imprinted metal powders as materials for chiral columns and the experimental and theoretical study of small chiral molecules adsorbed on well-characterized metal surfaces, both achiral and chiral. These efforts are being performed in close collaboration with our team members at the University of California Riverside and the University of Wisconsin Milwaukee.

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“…One surprising feature of the C 1s spectra is that the peak at lower kinetic energy appears to be consistently weaker than the peak at higher kinetic energy, although according to this assignment, both peaks arise from 2 C atoms in the tartrate species. This effect has also been observed in C 1s spectra in many other adsorbed (deprotonated) species produced by reaction with carboxylic acids, notably acetic acid on Cu(110) [15], glycine on Cu(111) [22] and Pd(111) [23], serine on Cu(110) [24], and alanine on Cu(110) [25,26 ], and must be attributed to loss of intensity in one of the peaks to shake-up satellites; the shoulder visible in the spectra at lower kinetic energy is consistent with this interpretation. (2)), these four O atoms may be expected to lead to peaks at the same energies as the two peaks in the bitartrate spectrum.…”

Section: Sxps Characterisationmentioning

confidence: 64%

Quantitative local structure determination of R,R-tartaric acid on Cu(110): Monotartrate and bitartrate phases

et al. 2012

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The local adsorption site of the monotartrate and bitartrate species of R,R-tartaric acid deposited on Cu(110) have been determined by scanned-energy mode photoelectron diffraction (PhD). In the monotartrate phase the molecule is found to adsorb upright through the O atoms of the single deprotonated carboxylic acid (carboxylate) group, which are located in different off-atop sites with associated Cu-O bondlengths of 1.92±0.08Å and 1.93±0.06Å; the plane of the carboxylate group tilted is by 17±6° off the surface normal. The bitartrate species adopts a 'lying down' orientation, bonding to the surface through all four O atoms of the two carboxylate groups, also in off-atop sites. Three slightly different models give comparably good fits to the PhD data, but only one of these is similar to that predicted by earlier density functional theory calculations. This model is found to have Cu-O bondlengths of 1.93±0.08Å and 1.95±0.08Å, while the planes of the carboxylate groups are tilted by 38±6° from the surface normal.

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The local adsorption geometry and electronic structure of alanine on Cu{110}

Cited by 97 publications

References 33 publications

Adsorption and self-assembly of bio-organic molecules at model surfaces: A route towards increased complexity

Adsorption and self-assembly of bio-organic molecules at model surfaces: A route towards increased complexity

Final Technical Report for DOE Grant DE-FG02-03ER15473 “Molecular Level Design of Heterogeneous Chiral Catalysis”

Quantitative local structure determination of R,R-tartaric acid on Cu(110): Monotartrate and bitartrate phases

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