Relation between Halogen Bond Strength and IR and NMR Spectroscopic Markers
The relationship between the strength of a halogen bond (XB) and various IR and NMR spectroscopic quantities is assessed through DFT calculations. Three different Lewis acids place a Br or I atom on a phenyl ring; each is paired with a collection of N and O bases of varying electron donor power. The...
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| Main Authors: | , |
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| Format: | Artigo |
| Language: | Inglês |
| Published: |
MDPI AG
2023-11-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/28/22/7520 |
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