On the shuttling mechanism of a chlorine atom in a chloroaluminum phthalocyanine based molecular switch
文献信息
Huanjun Song, Cenfeng Fu, Na Li, Hao Zhu, Zhantao Peng, Wenhui Zhao, Jingxin Dai, Lingbo Xing, Zhichao Huang, Wei Chen, Yongfeng Wang, Jinlong Yang, Kai Wu
An intermediate shuttling structure of a chloroaluminum phthalocyanine(ClAlPc)-based molecular switch is transiently created and analyzed by combined scanning tunneling microcopy/spectroscopy and density-functional theory calculations, which suggests that the Cl atom is squeezed into the space between the central Al atom and the inner N-containing ring in ClAlPc.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














