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• W2034194077 abstract "Abstract Two ester derivatives of phenylphosphonic acid were prepared from vicinal aromatic diols and phenylphosphonic dichloride in one-step procedures. The products were characterized by means of multi-nuclear NMR spectroscopy (1H, 13C, 31P), mass spectrometry, elemental analysis, UV–Vis spectroscopy, and melting point as well as vibrational spectroscopy. Their molecular structures were determined by single crystal X-ray diffraction and found to be open-chain half-esters of the respective diols. Intermolecular contacts and hydrogen bonding were analyzed. Born–Haber-cycles based on DFT calculations were conducted for the partial hydrolysis of the assumed cyclic phenylphosphonates to assess the reaction energies for the partial P–O–C cleavage of the chelate rings. The observed partial hydrolysis was rationalized on grounds of molecular orbital considerations. Experimental data were correlated to DFT data. The bonding situation of the two compounds was described by means of NBO analyses." @default.
• W2034194077 created "2016-06-24" @default.
• W2034194077 creator A5073941788 @default.
• W2034194077 date "2015-02-01" @default.
• W2034194077 modified "2023-09-24" @default.
• W2034194077 title "The structures of phenylphosphonic-acid-mono-(2-hydroxy-phenyl)ester and phenylphosphonic-acid-mono-(3-hydroxy-naphthalen-2-yl)ester – A combined experimental and theoretical study" @default.
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• W2034194077 doi "https://doi.org/10.1016/j.poly.2014.11.017" @default.
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