Using ^69/71Ga solid-state NMR and ¹²⁷I NQR as probes to elucidate the composition of 鈥淕aI鈥?/span>

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• 作者：Cory M. Widdifield ; Titel Jurca ; Darrin S. Richeson ; ^{darrin@uottawa.ca} ; David L. Bryce ; ^{dbryce@uottawa.ca}
• 关键词：Nuclear magnetic resonance ; &ldquo ; GaI&rdquo ; GaI2 ; Nuclear quadrupole resonance ; 69Ga ; 71Ga ; 127I ; Knight shifts ; Gallium ; Iodine
• 刊名：Polyhedron
• 出版年：2012
• 期刊代码：87_02775387
• 类别：ch
• 出版时间：16 March, 2012
• 卷：35
• 期：1
• 页码：96-100
• 文件大小：419 K

摘要

While the synthetic utility and reactivity of the so-called 鈥淕aI鈥?species is reasonably well established, its exact composition remains unknown. Using primarily multinuclear magnetic resonance techniques (and supported with powder X-ray diffraction measurements), we offer some new insights into the composition of 鈥淕aI鈥? Using ¹²⁷I nuclear quadrupole resonance (NQR) experiments, it is clearly demonstrated that gallium diiodide (GaI₂) is a significant component of this material, while GaI₃ is not. This finding is in contrast with a prior literature account, which noted that Ga₂I₃ (i.e., one equivalent of GaI₃ per equivalent of Ga metal) was present in significant amounts. Additional solid-state nuclear magnetic resonance (SSNMR) experiments using the ^69/71Ga probe nuclei in multiple magnetic fields clearly establish, via its diagnostic Knight-shifted resonance, the presence of Ga⁰ metal, which is in agreement with prior literature. Taken together, a composition may be tentatively offered: that 鈥淕aI鈥?is, to a large extent, two equivalents of Ga⁰ metal with two equivalents of GaI₂, where the latter is composed of Ga⁺ and ions. This composition may be represented as [Ga⁰]₂[Ga]⁺[GaI₄]^鈭?/sup>.