Predicted stability of the organo-xenon compound HXeCCH above the cryogenic range

Tsivion, Ehud; Zilberg, Shmuel; Gerber, R. Benny

doi:10.1016/j.cplett.2008.05.032

Cited by 33 publications

(51 citation statements)

References 31 publications

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“…This was the topic of recent computational studies. [22][23][24] There are two uni-molecular dissociation channels for HNgY compounds: 22,23,25 HNgY -Ng + HY (1)…”

Section: Model Systems Methods and Computational Detailsmentioning

confidence: 99%

Destabilization of noble-gas hydrides by a water environment: calculations for HXeOH@(H2O)n, HXeOXeH@(H2O)n, HXeBr@(H2O)n, HXeCCH@(H2O)n

Tsivion

Räsänen

Gerber

2013

Phys. Chem. Chem. Phys.

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HNgY molecules are chemically-bound compounds of a noble-gas atom (Ng) with a hydrogen and with an electronegative group Y. There is considerable current interest in the stability of these species in different types of media. The kinetic stability of several compounds, HXeOH, HXeOXeH, HXeBr and HXeCCH, in water clusters is explored by ab initio calculations. It is found that the kinetic stability of the compounds is reduced by the water environment, generally falling off with the number of H 2 O molecules. For a relatively modest number of water molecules, the compounds decompose spontaneously. Implications of the results for storage of HNgY in molecular media are discussed.

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“…This was the topic of recent computational studies. [22][23][24] There are two uni-molecular dissociation channels for HNgY compounds: 22,23,25 HNgY -Ng + HY (1)…”

Section: Model Systems Methods and Computational Detailsmentioning

confidence: 99%

Destabilization of noble-gas hydrides by a water environment: calculations for HXeOH@(H2O)n, HXeOXeH@(H2O)n, HXeBr@(H2O)n, HXeCCH@(H2O)n

Tsivion

Räsänen

Gerber

2013

Phys. Chem. Chem. Phys.

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“…In addition to xenon matrices, it was also characterized in argon and krypton matrices [20] and in xenon clusters in the gas phase [21]. The recent computational estimates show that HXeCCH could be remarkably stable up to room temperature [22]. Furthermore, the computations predict formation of stable dimers (HXeCCH) 2 and possibly larger clusters [23].…”

Section: Introductionmentioning

confidence: 96%

Matrix-isolation and ab initio study of HXeCCH complexed with acetylene

Domanskaya

Kobzarenko

Tsivion

et al. 2009

Chemical Physics Letters

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“…An intriguing question is whether the HNgY molecules can exist as isolated molecules in the gas phase or as solidphase aggregates. The computations predict stable crystals of HXeH and HXeCCH and high stability of HXeCCH in the gas phase [27][28][29].…”

Section: Introductionmentioning

confidence: 98%

Intermolecular interactions involving noble-gas hydrides: Where the blue shift of vibrational frequency is a normal effect

Lignell

Khriachtchev

2008

Journal of Molecular Structure

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Predicted stability of the organo-xenon compound HXeCCH above the cryogenic range

Cited by 33 publications

References 31 publications

Destabilization of noble-gas hydrides by a water environment: calculations for HXeOH@(H2O)n, HXeOXeH@(H2O)n, HXeBr@(H2O)n, HXeCCH@(H2O)n

Destabilization of noble-gas hydrides by a water environment: calculations for HXeOH@(H2O)n, HXeOXeH@(H2O)n, HXeBr@(H2O)n, HXeCCH@(H2O)n

Matrix-isolation and ab initio study of HXeCCH complexed with acetylene

Intermolecular interactions involving noble-gas hydrides: Where the blue shift of vibrational frequency is a normal effect

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