Schillinger R, Sljivancanin Z, Hammer B, Greber T
Physik Institut Universität Zürich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland.
Phys Rev Lett. 2007 Mar 30;98(13):136102. doi: 10.1103/PhysRevLett.98.136102. Epub 2007 Mar 27.
The enantioselectivity of gold is investigated by x-ray photoelectron spectroscopy (XPS) and density functional theory (DFT). Cysteine molecules on a chiral Au(17 11 9);{S} surface show enantiospecific core level binding energies in the amino and in the thiol group. The sign and order of magnitude of the XPS core level shifts is reproduced by DFT. Identical preparations of D- and L-cysteine layers lead to D-cysteine molecules in the pure NH2 form, while a small portion of L-cysteine molecules maintains a hydrogen rich amino group (NH3). This implies enantiospecific adsorption reaction pathways and is consistent with DFT that indicates an activated hydrogen abstraction reaction from the amino group, which is downhill for D-cysteine.
通过X射线光电子能谱（XPS）和密度泛函理论（DFT）研究了金的对映选择性。手性Au(17 11 9);{S}表面上的半胱氨酸分子在氨基和硫醇基团中显示出对映特异性的芯能级结合能。DFT再现了XPS芯能级位移的符号和量级。D-和L-半胱氨酸层的相同制备导致纯NH2形式的D-半胱氨酸分子，而一小部分L-半胱氨酸分子保持富含氢的氨基（NH3）。这意味着对映特异性吸附反应途径，并且与DFT一致，DFT表明从氨基发生活化的氢提取反应，这对于D-半胱氨酸是下坡反应。
