Cover Picture: Guiding Principles for the Rational Design of Hybrid Materials: Use of DFT Methodology for Evaluating Non‐Covalent Interactions in a Uranyl Tetrahalide Model System (Angew. Chem. Int. Ed. 33/2023)

Angewandte Chemie International Edition(2023)

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摘要
Uranyl tetrahalide ions assemble into a hybrid material through non-covalent interactions (NCIs) in the presence of organic charge balancing cations. NCIs such as hydrogen bonds serve to stabilize these supramolecular hybrid complexes and act as the fundamental driving force for crystallization. In their Research Article (e202305073), Sara E. Mason, Tori Z. Forbes et al. employed these hybrid complexes as a model system to assess the effect of NCIs on the vibrational properties and formation enthalpies of metal–organic hybrid materials. Uranyl tetrahalide ions assemble into a hybrid material through non-covalent interactions (NCIs) in the presence of organic charge balancing cations. NCIs such as hydrogen bonds serve to stabilize these supramolecular hybrid complexes and act as the fundamental driving force for crystallization. In their Research Article (e202305073), Sara E. Mason, Tori Z. Forbes et al. employed these hybrid complexes as a model system to assess the effect of NCIs on the vibrational properties and formation enthalpies of metal–organic hybrid materials. Rotaxanes Scintillators Nanoclusters Microbial Electrosynthesis
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uranyl tetrahalide model system,hybrid materials,non‐covalent,dft methodology
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