Eva Zunzunegui-Bru, Elisabeth Gruber, Stefan Bergmeister, Miriam Meyer, Fabio Zappa, Massimiliano Bartolomei, Fernando Pirani, Pablo Villarreal, Tomás González-Lezana, Paul Scheier
Helium clusters around the recently experimentally observed sulphur hexafluoride SF6 + and sulphur pentafluoride SF5 + ions are investigated using a combined experimental and theoretical effort. Mass spectrometry ion yields are obtained and the energetics and structure of the corresponding He N -SF6 + and He N -SF5 + clusters are analyzed using path integral molecular dynamics calculations as a function of N , the number of He atoms, employing a new intermolecular potential describing the interaction between the dopant and the surrounding helium...
January 26, 2022: Physical Chemistry Chemical Physics: PCCP