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Anti-electrostatic cation⋯π-hole and cation⋯lp-hole interactions are stabilized via collective interactions.

Ricardo Pino-RiosRodrigo Báez-GrezCina Foroutan-Nejad
Published in: Chemical communications (Cambridge, England) (2023)
Collective interactions are a novel type of bond between metals and AX 3 fragments with an electropositive central atom, A, and electronegative X substituents. Here, using electrostatic potential maps and state-of-the-art bonding analysis tools we have shown that collective interactions are anti-electrostatic cation⋯π-Hole or cation⋯lp-Hole interactions.
Keyphrases
  • ionic liquid
  • molecular dynamics simulations
  • solar cells
  • risk assessment
  • heavy metals
  • drinking water
  • health risk assessment