Noble gases

Schrobilgen, Gary J.; Brock, David S.

doi:10.1039/c1ic90019f

Cited by 5 publications

(1 citation statement)

References 39 publications

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“…Hence, all the Ng elements are known to show chemical reactivity. For more details, the readers are referred to the excellent reviews and articles on the Ng compounds [31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55]. In the current account, we mainly summarize our theoretical contributions in the Ng field.…”

Section: Introductionmentioning

confidence: 99%

How Far Can One Push the Noble Gases Towards Bonding?: A Personal Account

et al. 2019

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Noble gases (Ngs) are the least reactive elements in the periodic table towards chemical bond formation when compared with other elements because of their completely filled valence electronic configuration. Very often, extreme conditions like low temperatures, high pressures and very reactive reagents are required for them to form meaningful chemical bonds with other elements. In this personal account, we summarize our works to date on Ng complexes where we attempted to theoretically predict viable Ng complexes having strong bonding to synthesize them under close to ambient conditions. Our works cover three different types of Ng complexes, viz., non-insertion of NgXY type, insertion of XNgY type and Ng encapsulated cage complexes where X and Y can represent any atom or group of atoms. While the first category of Ng complexes can be thermochemically stable at a certain temperature depending on the strength of the Ng-X bond, the latter two categories are kinetically stable, and therefore, their viability and the corresponding conditions depend on the size of the activation barrier associated with the release of Ng atom(s). Our major focus was devoted to understand the bonding situation in these complexes by employing the available state-of-the-art theoretic tools like natural bond orbital, electron density, and energy decomposition analyses in combination with the natural orbital for chemical valence theory. Intriguingly, these three types of complexes represent three different types of bonding scenarios. In NgXY, the strength of the donor-acceptor Ng→XY interaction depends on the polarizing power of binding the X center to draw the rather rigid electron density of Ng towards itself, and sometimes involvement of such orbitals becomes large enough, particularly for heavier Ng elements, to consider them as covalent bonds. On the other hand, in most of the XNgY cases, Ng forms an electron-shared covalent bond with X while interacting electrostatically with Y representing itself as [XNg]+Y−. Nevertheless, in some of the rare cases like NCNgNSi, both the C-Ng and Ng-N bonds can be represented as electron-shared covalent bonds. On the other hand, a cage host is an excellent moiety to examine the limits that can be pushed to attain bonding between two Ng atoms (even for He) at high pressure. The confinement effect by a small cage-like B12N12 can even induce some covalent interaction within two He atoms in the He2@B12N12 complex.

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Section: Introductionmentioning

confidence: 99%

How Far Can One Push the Noble Gases Towards Bonding?: A Personal Account

et al. 2019

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Coupled cluster, MP2, and DFT study of structures, stabilities, vibrations, and bonding properties of XXeOH (X = F, Cl, Br, and I)

Tavakol

Mollaei-Renani

2013

Struct Chem

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On the Covalent Character of Rare Gas Bonding Interactions: A New Kind of Weak Interaction

2012

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At the averaged quadratic coupled-cluster (AQCC) level, a number of selected rare gas (Rg) containing systems have been studied using the quantum theory of atoms in molecules (QTAIM), natural bond orbital (NBO), and several other analysis methods. According to the criteria for a covalent bond, most of the Rg-M (Rg = He, Ne, Ar, Kr, Xe; M = Be, Cu, Ag, Au, Pt) bonds in this study are assigned to weak interactions instead of van der Walls or covalent ones. Our results indicate that the rare gas bond is a new kind of weak interaction, like the hydrogen bond for example.

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Noble gases

Cited by 5 publications

References 39 publications

How Far Can One Push the Noble Gases Towards Bonding?: A Personal Account

How Far Can One Push the Noble Gases Towards Bonding?: A Personal Account

Coupled cluster, MP2, and DFT study of structures, stabilities, vibrations, and bonding properties of XXeOH (X = F, Cl, Br, and I)

On the Covalent Character of Rare Gas Bonding Interactions: A New Kind of Weak Interaction

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