Equilibrium adsorption of D- and L-alanine mixtures on naturally chiral Cu{3,1,17}R&S surfaces
SCIE
SCOPUS
- Title
- Equilibrium adsorption of D- and L-alanine mixtures on naturally chiral Cu{3,1,17}R&S surfaces
- Authors
- Yun, Yongju; Wei, Daniel; Sholl, David S.; Gellman, Andrew J.
- Date Issued
- 2014-07-10
- Publisher
- American Chemical Society
- Abstract
- Equilibrium adsorption of gas phase mixtures of D- and L-alanine (Ala) onto the naturally chiral Cu{3,1,17}(R&S) surfaces has been studied by both experiment and DFT-based modeling. Isotopically labeled *L-Ala ((HO2CCH)-C-13(NH2)CH3) and unlabeled D-Ala allow mass spectrometric enantiodifferentiation of the adsorbed species during temperature-programmed decomposition, following equilibrium adsorption. Measurements of the relative equilibrium coverages of D- and *L-Ala on the Cu{3,1,17}(R&S) surfaces, theta(D/R)/theta*(L/R) = theta(*L/S)/theta(D/S), at gas phase partial pressure ratios of P-*L/PD = 1/2, 1, and 2 indicate that the D-Ala and *L-Ala conglomerate phases are more energetically stable than a D*L-Ala racemate phase, but that their adsorption energies are not measurably enantiospecific, Delta Delta E-DL approximate to 0. Although the DFT simulations provide a self-consistent structure of Ala overlayers on Cu{3,1,17}(R&S) they overestimate the enantiospecificity of the adsorption energetics.
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/38179
- DOI
- 10.1021/jp503796u
- ISSN
- 1932-7447
- Article Type
- Article
- Citation
- Journal of Physical Chemistry C, vol. 118, no. 27, page. 14957 - 14966, 2014-07-10
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