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An Introduction to Crystal Structures
Published in Elaine A. Moore, Lesley E. Smart, Solid State Chemistry, 2020
Elaine A. Moore, Lesley E. Smart
Interestingly, it was arguments and calculations of this sort that led Neil Bartlett to the discovery of the first noble gas compound, XePtF6. Bartlett had prepared a new complex, O2PtF6, which, by analogy with the diffraction pattern of KPtF6, he formulated as containing the dioxygenyl cation, [O2+][PtF6−]. He realised that the ionisation energies of oxygen and xenon are very similar and that although the radius of the Xe+ ion is slightly different, because the PtF6− anion is very large, the lattice energy of [Xe+][PtF6−] should be very similar to that of the dioxygenyl complex and, therefore, should exist. Accordingly, he mixed xenon and PtF6 and obtained the orange-yellow solid of xenon hexafluoroplatinate—the first noble gas compound. (Although, in fact, the compound turned out not to have the structure that Bartlett predicted because at room temperature XePtF6 reacts with another molecule of PtF6 to give a product containing [XeF]+[PtF6]− and [PtF5]−.)
Theoretical prediction of FNgM3–kHk (Ng = Ar, Kr, Xe, and Rn; M = Cu, Ag and Au; k = 0–2) molecules
Published in Molecular Physics, 2022
Subrahmanya Prasad Kuntar, Ayan Ghosh, Tapan K. Ghanty
Element that has completely filled valence shell are exceedingly averse to participate in a chemical reaction while the species possessing only one electron in the outermost shell are very keen to react, and arguably they are considered as highly reactive species. Former is the case with the noble gas (Ng) atoms present in group 18 of the periodic table. The completely filled valence orbitals make them shy to take part in the electron transfer phenomena with the other atoms. It was hence predicted that the Ng atoms can only be reactive under extreme conditions. Even though Ng atoms have completely filled valence electronic configurations, as we move down along the group in the periodic table the ionisation energy decreases. Consequently, in the heavier Ng atoms, the influence of the nucleus on the valence or the outermost electrons is very less that is because of the increasing ionic radii and the screening of the furthest electrons by the electrons at the crux. With these intuitions, Linus Pauling in 1933 first predicted [1] the existence of xenon compounds with fluorine and oxygen theoretically. This investigation marked as the beginning for the noble gas reaction chemistry as previously the inertness of the noble gas atoms was considered insuperable. In 1962, Neil Bartlett gained an accidental success [2] while separating a stable Xenon compound and observed the first noble gas compound xenon hexafluoroplatinate defeating the entire pigeonhole. Since then Noble gas chemistry [2–9] has become the frontier area of research owing to the versatile applications of Ng atoms in diverse fields. A wide variety of compounds containing different Ng atoms are being theoretically foreseen and observed experimentally. It is vital to quote that the quantum chemical methods are extremely useful in predicting new chemical compounds involving Ng atoms and elucidate their physico-chemical properties. Our aim is to utilise such methods in predicting novel material that forms stable compounds with the Ng atoms.