Self-isomerization of nearly planar superatoms formed by actinide embedded gold clusters

Literature Information

Publication Date 2022-12-15
DOI 10.1039/D2CP05118D
Impact Factor 3.676
Authors

Zheng Liu, Yang Gao, Famin Yu, Zhonghua Liu, Jiarui Li, Rui-Qin Zhang, Yan Xue


View Original

Abstract

First-principles calculations show a self-isomerization process of the nearly planar superatom, in which the maximum energy difference between different extreme points is below 0.1 eV and a crossing between singlet and triplet states is also involved. Further UV-Vis spectra reveal a correlation between the spectra and structures caused by self-isomerization.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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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.

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