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• W1515705871 endingPage "11128" @default.
• W1515705871 startingPage "11120" @default.
• W1515705871 abstract "The complexes of HArF, HKrF, and HKrCl with nitrogen molecules have been studied computationally and experimentally. With the help of computations the experimental data can be interpreted as showing the presence of two complex configurations, one linear and one bent. Vibrational properties of the studied molecules are very sensitive to the intermolecular interactions and complexation induces an exceptionally large blueshift (&gt;100 cm−1 for HKrCl) to the H–Ar and H–Kr stretching frequency, especially for the linear configurations. The interaction energies without zero-point energy correction are between 400 and 800 cm−1. According to the energy decomposition scheme, the electrostatic forces provide the most important interaction in the linear complex configurations. For the bent complexes, electrostatic and dispersion forces are competing as a leading attractive interaction." @default.
• W1515705871 created "2016-06-24" @default.
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• W1515705871 date "2003-06-09" @default.
• W1515705871 modified "2023-09-27" @default.
• W1515705871 title "Interaction of rare-gas-containing molecules with nitrogen: Matrix-isolation and <i>ab initio</i> study of HArF⋯N2, HKrF⋯N2, and HKrCl⋯N2 complexes" @default.
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• W1515705871 doi "https://doi.org/10.1063/1.1575198" @default.
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