[MLn]2+ doubly charged systems: modeling, bonding, life times and unimolecular reactivity
Literature Information
Doubly charged species in the gas phase have been an oddity for many years, but the possibility of generating and detecting them with the new available experimental techniques has faced the scientific community with challenging questions regarding their stability, bonding and reactivity. In this paper we analyze, mainly from a theoretical perspective, these questions for the particular subset of [MLn]2+ dications, where M is a metal and L an organic or inorganic ligand. Special attention is devoted to the challenges associated with their theoretical description, in particular as far as their bonding and their life times are concerned. A survey of their unimolecular reactivity is also presented as well as a discussion of the information available on dication affinities, and how they correlate with proton affinities or monocation affinities in general.
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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.











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