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Impact of solvent interactions on (1)H and (13)C chemical shifts investigated using DFT and a reference dataset recorded in CDCl(3) and CCl(4)
(1)H and (13)C chemical shifts of 35 small, rigid molecules were measured under standardized conditions in chloroform-d and in tetrachloromethane. The solvent change mainly affects carbon shifts of polar functional groups. This difference due to specific interactions with CDCl(3) cannot be adequatel...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9533371/ https://www.ncbi.nlm.nih.gov/pubmed/36129319 http://dx.doi.org/10.1039/d2cp03205h |