TY - JOUR
T1 - Destabilization of noble-gas hydrides by a water environment
T2 - Calculations for HXeOH(H2O)n, HXeOXeH(H2O)n, HXeBr(H2O)n, HXeCCH(H2O)n
AU - Tsivion, Ehud
AU - Räsänen, Markku
AU - Gerber, R. Benny
PY - 2013/8/14
Y1 - 2013/8/14
N2 - 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 H2O 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. This journal is
AB - 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 H2O 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. This journal is
UR - http://www.scopus.com/inward/record.url?scp=84881189614&partnerID=8YFLogxK
U2 - 10.1039/c3cp50932j
DO - 10.1039/c3cp50932j
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AN - SCOPUS:84881189614
SN - 1463-9076
VL - 15
SP - 12610
EP - 12616
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
IS - 30
ER -