Hydrogen bonds in complexes of noble gases with the H(HCB 11 F 11 ) carborane acid -DFT calculations

Puntos clave

• The aim is to investigate the interaction between noble gases and H(HCB11F11) carborane acid using DFT calculations.
• Conducted DFT calculations to analyze noble gas and carborane acid complexes.
• Examined the nature of hydrogen bonds formed during interactions.
• Assessed changes in electron charge distribution upon complex formation.
• Noble gases exhibit significant electron charge loss upon interaction with carborane acid.
• Hydrogen bonding is a key factor in the stabilization of these complexes.