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Oganesson: A Noble Gas Element That Is Neither Noble Nor a Gas.

ABSTRACT: Oganesson (Og) is the last entry into the Periodic Table completing the seventh period of elements and group 18 of the noble gases. Only five atoms of Og have been successfully produced in nuclear collision experiments, with an estimate half-life for 294118 Og of 0. 69+0.64-0.22 ?ms.^[1] With such a short lifetime, chemical and physical properties inevitably have to come from accurate relativistic quantum theory. Here, we employ two complementary computational approaches, namely parallel tempering Monte-Carlo (PTMC) simulations and first-principles thermodynamic integration (TI), both calibrated against a highly accurate coupled-cluster reference to pin-down the melting and boiling points of this super-heavy element. In excellent agreement, these approaches show Og to be a solid at ambient conditions with a melting point of ?325?K. In contrast, calculations in the nonrelativistic limit reveal a melting point for Og of 220?K, suggesting a gaseous state as expected for a typical noble gas element. Accordingly, relativistic effects shift the solid-to-liquid phase transition by about 100?K.

SUBMITTER: Smits OR

PROVIDER: S-EPMC7814676 | biostudies-literature | 2020 Dec

REPOSITORIES: biostudies-literature

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Oganesson: A Noble Gas Element That Is Neither Noble Nor a Gas.

Smits Odile R OR Mewes Jan-Michael JM Jerabek Paul P Schwerdtfeger Peter P

Angewandte Chemie (International ed. in English) 20201022 52

Oganesson (Og) is the last entry into the Periodic Table completing the seventh period of elements and group 18 of the noble gases. Only five atoms of Og have been successfully produced in nuclear collision experiments, with an estimate half-life for 294118 Og of 0. 69+0.64-0.22 ms.<sup>[1]</sup> With such a short lifetime, chemical and physical properties inevitably have to come from accurate relativistic quantum theory. Here, we employ two complementary computational approaches, namely parall ...[more]

PMID: 32959952

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Project description:Recent development in the synthesis and characterization of noble-gas compounds is reviewed, i.e., noble-gas chemistry reported in the last five years with emphasis on the publications issued after 2017. XeF2 is commercially available and has a wider practical application both in the laboratory use and in the industry. As a ligand it can coordinate to metal centers resulting in [M(XeF2)x]n+ salts. With strong Lewis acids, XeF2 acts as a fluoride ion donor forming [XeF]+ or [Xe2F3]+ salts. Latest examples are [Xe2F3][RuF6]·XeF2, [Xe2F3][RuF6] and [Xe2F3][IrF6]. Adducts NgF2·CrOF4 and NgF2·2CrOF4 (Ng = Xe, Kr) were synthesized and structurally characterized at low temperatures. The geometry of XeF6 was studied in solid argon and neon matrices. Xenon hexafluoride is a well-known fluoride ion donor forming various [XeF5]+ and [Xe2F11]+ salts. A large number of crystal structures of previously known or new [XeF5]+ and [Xe2F11]+ salts were reported, i.e., [Xe2F11][SbF6], [XeF5][SbF6], [XeF5][Sb2F11], [XeF5][BF4], [XeF5][TiF5], [XeF5]5[Ti10F45], [XeF5][Ti3F13], [XeF5]2[MnF6], [XeF5][MnF5], [XeF5]4[Mn8F36], [Xe2F11]2[SnF6], [Xe2F11]2[PbF6], [XeF5]4[Sn5F24], [XeF5][Xe2F11][CrVOF5]·2CrVIOF4, [XeF5]2[CrIVF6]·2CrVIOF4, [Xe2F11]2[CrIVF6], [XeF5]2[CrV2O2F8], [XeF5]2[CrV2O2F8]·2HF, [XeF5]2[CrV2O2F8]·2XeOF4, A[XeF5][SbF6]2 (A = Rb, Cs), Cs[XeF5][BixSb1-xF6]2 (x = ~0.37-0.39), NO2XeF5(SbF6)2, XeF5M(SbF6)3 (M = Ni, Mg, Zn, Co, Cu, Mn and Pd) and (XeF5)3[Hg(HF)]2(SbF6)7. Despite its extreme sensitivity, many new XeO3 adducts were synthesized, i.e., the 15-crown adduct of XeO3, adducts of XeO3 with triphenylphosphine oxide, dimethylsulfoxide and pyridine-N-oxide, and adducts between XeO3 and N-bases (pyridine and 4-dimethylaminopyridine). [Hg(KrF2)8][AsF6]2·2HF is a new example of a compound in which KrF2 serves as a ligand. Numerous new charged species of noble gases were reported (ArCH2+, ArOH+, [ArB3O4]+, [ArB3O5]+, [ArB4O6]+, [ArB5O7]+, [B12(CN)11Ne]-). Molecular ion HeH+ was finally detected in interstellar space. The discoveries of Na2He and ArNi at high pressure were reported. Bonding motifs in noble-gas compounds are briefly commented on in the last paragraph of this review.

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Oganesson: A Noble Gas Element That Is Neither Noble Nor a Gas.

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Oganesson: A Noble Gas Element That Is Neither Noble Nor a Gas.

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