Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110)
Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110)
复制标题
Cu(110)吸附甘氨酸和苯基甘氨酸的空间效应和手性
作者：
S. Blankenburg;Wolf Gero Schmidt
吸附在 Cu(110) 上的甘氨酸形成（少量）异手性 (3 × 2) 重建覆盖层，而苯基甘氨酸更喜欢同手性吸附。广义梯度近似中的密度泛函理论用于识别这种差异的根源。我们发现苯基与分子间氢键结合对分子弛豫的限制是造成这种现象的原因。
Glycine adsorbed on Cu(110) forms (marginally) heterochiral (3 × 2) reconstructed overlayers, in contrast to phenylglycine preferring homochiral adsorption. Density-functional theory within generalized gradient approximation is used to identify the origin of this difference. We find the restriction of the molecular relaxation imposed by the phenyl group in conjunction with intermolecular hydrogen bonds to be responsible.