ArticleInorganic chemistry2026
Quantitative Analysis of Metal-Centered π-Holes in {TM(cyclen)}
Article in Inorganic chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Authors and funding
5 authors.
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Abstract
Metal-centered π-holes are regions of electronic depletion located above pseudoplanar coordination environments that can promote weak axial interactions. However, their characterization remains limited. In this context, this work establishes quantitative descriptors for identifying and comparing π-holes in transition-metal coordination environments. Here, a high-throughput computational analysis of 1296 {TM(cyclen)}
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