School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an 710072, People's Republic of China.
J Am Chem Soc. 2011 Feb 23;133(7):2192-7. doi: 10.1021/ja108154a. Epub 2011 Jan 31.
Dissociation of ionizable ligands immobilized on nanopaticles (NPs) depends on and can be regulated by the curvature of these particles as well as the size and the concentration of counterions. The apparent acid dissociation constant (pK(a)) of the NP-immobilized ligands lies between that of free ligands and ligands self-assembled on a flat surface. This phenomenon is explicitly rationalized by a theoretical model that accounts fully for the molecular details (size, shape, conformation, and charge distribution) of both the NPs and the counterions.
固定在纳米粒子（NPs）上的可离解配体的离解取决于这些粒子的曲率以及抗衡离子的大小和浓度，并可受其调节。NP 固定配体的表观酸离解常数（pK(a)）位于游离配体和在平坦表面上自组装的配体之间。这一现象通过一个理论模型得到了明确的解释，该模型充分考虑了 NPs 和抗衡离子的分子细节（大小、形状、构象和电荷分布）。
