29Si and 19F MAS NMR spectra of isolated 29Si(19F)2 and 29Si(19F)3 spin systems: experiments and simulations期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

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29Si and 19F MAS NMR spectra of isolated 29Si(19F)2 and 29Si(19F)3 spin systems: experiments and simulations

Authors:	Helluy Xavier Pietschnig Rudolf Sebald Angelika

Institution:	^a Bayerisches Geoinstitut, Universität Bayreuth, 95440, Bayreuth, Germany ^b Karl-Franzens-Universität Graz, Institut für Chemie, Anorganische Chemie, Schubertstrasse 1, A-8010, Graz, Austria

Abstract:	We consider ²⁹Si and ¹⁹F MAS NMR spectra of isolated ²⁹Si(¹⁹F)₂ and ²⁹Si(¹⁹F)₃ spin systems in two organosilicon compounds of the type RR’SiF₂ and RSiF₃(R,R′=organic ligands). Experimental spectra are analysed by means of numerical simulations. It is found that the SiF₃ group in RSiF₃ is reorienting rapidly around the molecular Si–C bond direction in the solid state. The two ¹⁹F shielding tensors in RR’SiF₂ have strongly differing orientations relative to the two Si–F bond directions in the molecule. Possibilities and limitations of straightforward MAS NMR approaches for the full characterisation of ²⁹Si(¹⁹F)₂ and ²⁹Si(¹⁹F)₃ spin systems and other dipolar coupled two and three-spin systems are discussed.

Keywords:	²⁹Si–¹⁹F spin systems ²⁹Si MAS NMR ¹⁹F MAS NMR Spectral lineshapes Molecular dynamics
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