Synthesis and Characterization of [XeOXe]²⁺ in the Adduct-Cation Salt, [CH₃CN- - -XeOXe- - -NCCH₃][AsF₆]₂

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• 作者：John R. DeBackere ; Mark R. Bortolus and Prof. Gary J. Schrobilgen
• 刊名：Angewandte Chemie International Edition
• 出版年：2016
• 出版时间：September 19, 2016
• 年：2016
• 卷：55
• 期：39
• 页码：11917-11920
• 全文大小：679K
• ISSN：1521-3773

文摘

Acetonitrile and [FXeOXe- - -FXeF][AsF₆] react at −60 °C in anhydrous HF (aHF) to form the CH₃CN adduct of the previously unknown [XeOXe]²⁺ cation. The low-temperature X-ray structure of [CH₃CN- - -XeOXe- - -NCCH₃][AsF₆]₂ exhibits a well-isolated adduct-cation that has among the shortest Xe−N distances obtained for an sp-hybridized nitrogen base adducted to xenon. The Raman spectrum was fully assigned by comparison with the calculated vibrational frequencies and with the aid of ¹⁸O-enrichment studies. Natural bond orbital (NBO), atoms in molecules (AIM), electron localization function (ELF), and molecular electrostatic potential surface (MEPS) analyses show that the Xe−O bonds are semi-ionic whereas the Xe−N bonds may be described as strong electrostatic (σ-hole) interactions.