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Volume 117, Issue 3, 15 July 2002
117(2002); http://dx.doi.org/10.1063/1.1491403View Description Hide Description
Interaction between HKrCl and is investigated in a low temperature Kr matrix and by using ab initio calculations. Two configurations of the complex are found both computationally and experimentally. The complexes show large monomer-to-complex blueshifts (+112.9 and +32.4 cm−1 experimentally) of the H–Kr stretching vibration mode. The large blueshifts are attributed to the enhanced ion-pair character of complexed HKrCl resulting in stronger H–Kr covalent bonding.