On the nature and feasibility of unsupported Au•••Pd metallophilic interactions: a correlated computational study

Key Points

• The aim is to investigate the feasibility and fundamental nature of unsupported gold-palladium interactions.
• Conducted a comprehensive computational analysis
• Utilized advanced correlation methods
• Explored various interaction models
• Supported the potential existence of unsupported Au···Pd interactions
• Provided insights into their fundamental nature
• Identified key factors influencing these interactions