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Charge-Shift Bonding Propensity in Halogen-Bonded BXY (B Is a Small Lewis Base H(2)O or NH(3); X and Y Are Halogen Atoms) Complexes: An NBO/NRT/AIM Investigation
Charge-shift (CS) bonding is a new bonding paradigm in the field of chemical bonds. Our recent study has revealed that certain Cu/Ag/Au-bonds display both CS bonding and ω-bonding characters. In this investigation, we extend our study to halogen bonding. Our focus is on scrutinizing the CS bonding i...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10489069/ https://www.ncbi.nlm.nih.gov/pubmed/37687041 http://dx.doi.org/10.3390/molecules28176212 |