Xenon difluoride as a fluoride ion donor. Evidence for the salts [Xe₂F₃]⁺[MF₆]^–,[XeF]⁺[MF₆]^–and [XeF]⁺[M₂F₁₁]^–

DFT Study of the NMR Properties of Xenon in Covalent Compounds and van der Waals Complexes—Implications for the Use of 129Xe as a Molecular Probe

“…An almost quantitative agreement is found including scalar relativistic corrections with the larger all-electron TZ2P basis set, while the inclusion of the XeF À 7458 5570 À 1888 2134 [b] À 574; À 911 [43] Xe 2 F 3 À 4557 5570 1013 À 767 [51] XeCl À 2276 5574 3298 À 3052 [c] À 551 [43] [a] The geometry used in the calculations was obtained by optimization at the scalar ZORA/TZ2P level, starting from the experimental structure. The average difference in bonds lengths and angles is 0.016 ä and 1 0 , respectively.…”

New class of coordination compounds with noble gas fluorides as ligands to metal ions

“…The band at higher frequency is labeled as the short-bond Xe-F stretch (n(Xe-F)) and that at lower frequency as the long-bond Xe-F stretch (nðXe Á Á Á FÞ). The frequency for n(Xe-F) + should be at or higher than 600 cm À1 [21]. The strength of the interactions of nonbridging XeF 2 molecules with the metal center is expressed by the position of n(Xe-F) band which is in the range from 544 to 584 cm À1 (Table 2), while the stretching band of the bridging XeF 2 should be close to the vibrations of the free XeF 2 molecule (at 497 cm À1 ).…”

Revising the Highest Oxidation States of the 5d Elements: The Case of Iridium(+VII)

“…These computational results suggest a possible pathway to obtain Ir VII . Interestingly, in contrast to several known [KrF][MF 6 ] complexes of platinum and gold, [24][25][26] and in spite of the existence of [XeF][IrF 6 ], [24] observation of [KrF][IrF 6 ] has never been reported.…”

“…[16] [24] ). However, the complex is calculated to decompose exothermically (À118.5 kJ mol À1 ) into [IrF 7 ] and Kr.…”