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- W2580914456 abstract "Abstract Experimental charge density studies of hexachloro‐ cyclo ‐triphosphazene ( 1 ) and the boat conformation of octachloro‐ cyclo ‐tetraphosphazene ( 2 a ) were performed to unambiguously describe the origin of the electron delocalization in the P 3 N 3 ring in 1 . The obtained results were compared to DFT studies in the solid state and the gas phase. Electron density analysis revealed a highly polarized nature of the P−N bonds and a modular structure of the P 3 N 3 and P 4 N 4 rings, which can be separated into independent Cl 2 PN units with a perfect transferability between the compounds. Further analysis of the source function experimentally proves the presence of negative hyperconjugation involving both out‐of‐plane and in‐plane nitrogen electrons as well as electrons of the chlorine atoms. Finally, these results discard the presence of pseudoaromatic delocalization in the nearly planar P 3 N 3 ring." @default.
- W2580914456 created "2017-02-03" @default.
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- W2580914456 date "2017-04-28" @default.
- W2580914456 modified "2023-10-01" @default.
- W2580914456 title "Is Hexachloro-<i>cyclo</i> -triphosphazene Aromatic? Evidence from Experimental Charge Density Analysis" @default.
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- W2580914456 doi "https://doi.org/10.1002/chem.201700411" @default.
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