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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10673387/ https://www.ncbi.nlm.nih.gov/pubmed/38005241 http://dx.doi.org/10.3390/molecules28227520 |