Liu Bing, Zhang Shengjie, Miao Guangyao, Guo Jiandong, Meng Sheng, Wang Weihua
Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China.
Chem Commun (Camb). 2021 May 6;57(37):4580-4583. doi: 10.1039/d1cc00506e.
By using low-temperature scanning tunnelling microscopy and spectroscopy, ligand field theory and density functional theory calculations, we revealed the spatial distribution and energy separation of the nonbonding and antibonding orbitals associated with the top-Ni atoms in a surface-supported Ni-TPyP metal-organic framework with dinuclear coordination centres.
通过使用低温扫描隧道显微镜和光谱学、配体场理论以及密度泛函理论计算，我们揭示了在具有双核配位中心的表面负载Ni-TPyP金属有机框架中，与顶部Ni原子相关的非键合轨道和反键合轨道的空间分布及能量间隔。
Zotero 插件