Browsing Hazendonk, Paul by Author "Mercier, Hélène P. A."
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- ItemLewis acid behavior of SF4: synthesis, characterization, and computational study of adducts of SF4 with pyridine and pyridine derivatives(Wiley, 2015) Chaudhary, Praveen; Goettel, James T.; Mercier, Hélène P. A.; Sowlati-Hashjin, Shahin; Hazendonk, Paul; Gerken, MichaelSulfur tetrafluoride was shown to act as a Lewis acid towards organic nitrogen-bases, such as pyridine, 2,6-dimethylpyridine, 4-methylpyridine, and 4-dimethylaminopyridine. The SF4·NC5H5, SF4·2,6-NC5H3(CH3)2, SF4·4-NC5H4(CH3), and SF4·4-NC5H4N(CH3)2 adducts can be isolated as solids that are stable below –45 °C. The Lewis acid-base adducts were characterized by low temperature Raman spectroscopy and the vibrational bands were fully assigned with the aid of density-functional-theory (DFT) calculations. The electronic structures obtained from the DFT calculations were analyzed by the quantum theory of atoms in molecules (QTAIM). The crystal structures of SF4·NC5H5, SF4·4-NC5H4(CH3), and SF4·4-NC5H4N(CH3)2 revealed weak S---N dative bonds with nitrogen coordinating in the equatorial position of SF4. Based on the QTAIM analysis, the non-bonded valence shell charge concentration on sulfur, which represents the lone pair, is only slightly distorted by the weak dative S---N bond. No evidence for adducts between quinoline or isoquinoline with SF4 was found by low-temperature Raman spectroscopy.
- ItemSF4·N(C2H5)3: the first conclusively characterized SF4 adduct with an organic base(Royal Society of Chemistry, 2012) Goettel, James T.; Chaudhary, Praveen; Hazendonk, Paul; Mercier, Hélène P. A.; Gerken, MichaelSulfur tetrafluoride and triethylamine react at low temperatures to form a 1 : 1 adduct. The unambiguous characterization of the SF4 N(C2H5)3, which is only stable at low temperature, proves the Lewis acid property of SF4 towards organic Lewis bases. The S–N bond has a length of 2.384(2) A ̊ and is an archetypical example of a dative SIV ’N bonding modality