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- W2275866296 abstract "Abstract MP2 and DFT calculations with correlation consistent basis sets indicate that isolated linear anionic dialkylgold(I) complexes form moderately strong (ca. 10 kcal mol −1 ) Au⋅⋅⋅H hydrogen bonds with single H 2 O molecules as donors in the absence of sterically demanding substituents. Relativistic effects are critically important in the attraction. Such bonds are significantly weaker in neutral, strong σ‐donor N ‐heterocyclic carbene (NHC) complexes (ca. 5 kcal mol −1 ). The overall association (>11 kcal mol −1 ), however, is strengthened by co‐operative, synergistic classical hydrogen bonding when the NHC ligands bear NH units. Further manipulation of the interaction by ligands positioned trans to the carbene, is possible." @default.
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- W2275866296 date "2015-12-22" @default.
- W2275866296 modified "2023-10-16" @default.
- W2275866296 title "Preparing Gold(I) for Interactions with Proton Donors: The Elusive [Au]⋅⋅⋅HO Hydrogen Bond" @default.
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- W2275866296 doi "https://doi.org/10.1002/anie.201508358" @default.
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