Charge-Shift Bonding Propensity in Halogen-Bonded BXY (B Is a Small Lewis Base H<sub>2</sub>O or NH<sub>3</sub>; 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...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-08-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/28/17/6212 |