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• W4292493013 abstract "The deshielding or downfield 13 C NMR chemical shift of amide carbonyl carbon upon H-bonding is a widely observed phenomenon. This downfield shift is commonly used as a spectroscopic ruler for H-bonding. However, the very first observation of an upfield 13 C NMR of thiocarbonyl carbon in thioamides upon H-bonding encouraged us to explore the physical origin of the reversal of 13 C NMR chemical shielding. Careful NMR analysis shows that sulfur and selenium-centered H-bonds (S/SeCHBs) induce a shielding effect on the 13 CC=S(Se) while changing from amides to thioamides or selenoamides. In addition, natural chemical shielding (NCS) analysis shows that the σ11 and σ22 components of the isotropic shielding tensor (σ) have a crucial role in this unusual shielding." @default.
• W4292493013 created "2022-08-21" @default.
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• W4292493013 date "2022-09-05" @default.
• W4292493013 modified "2023-10-12" @default.
• W4292493013 title "Hydrogen Bonding Directed Reversal of ¹³C NMR Chemical Shielding" @default.
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• W4292493013 doi "https://doi.org/10.1002/anie.202207521" @default.
• W4292493013 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35983584" @default.
• W4292493013 hasPublicationYear "2022" @default.
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