AI Article Synopsis
- A series of compounds featuring phosphorus and selenium substitutions on acenaphthene have been synthesized, characterized, and analyzed, notably through single-crystal X-ray diffraction.
- The P(V) and Se(II) species displayed fluxional behavior in solution, indicating the existence of two main rotamers, which were confirmed using NMR spectroscopy.
- Advanced techniques like Variable-Temperature NMR and DFT calculations helped to identify these rotamers, revealing that all compounds showed reduced coupling due to the lone pair of the phosphine being less available.
Article Abstract
A series of phosphorus and selenium -substituted acenaphthene species with the phosphino group oxidized by O, S, and Se has been isolated and fully characterized, including by single-crystal X-ray diffraction. The P(V) and Se(II) systems showed fluxional behavior in solution due to the presence of two major rotamers, as evidenced with solution NMR spectroscopy. Using Variable-Temperature NMR (VT NMR) and supported by DFT (Density Functional Theory) calculations and solid-state NMR, the major rotamers in the solid and in solution were identified. All compounds showed a loss of the through-space coupling observed in the unoxidized P(III) and Se(II) systems due to the sequestration of the lone pair of the phosphine, which has been previously identified as the major contributor to the coupling pathway.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10650533 | PMC |
| http://dx.doi.org/10.3390/molecules28217297 | DOI Listing |
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- A series of compounds featuring phosphorus and selenium substitutions on acenaphthene have been synthesized, characterized, and analyzed, notably through single-crystal X-ray diffraction.
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