• Medientyp: E-Artikel
  • Titel: Revisiting the electronic structure of N2-bound cAAC-borylene at the CASSCF level: a detailed bonding picture of borylene–N2 interaction
  • Beteiligte: Ghosh, Susovon; Bhardwaj, Akhil; Mondal, Bhaskar
  • Erschienen: Royal Society of Chemistry (RSC), 2023
  • Erschienen in: Dalton Transactions, 52 (2023) 35, Seite 12517-12525
  • Sprache: Englisch
  • DOI: 10.1039/d3dt01155k
  • ISSN: 1477-9226; 1477-9234
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  • Beschreibung: A detailed synergistic bonding picture between cAAC-stabilised borylene and N2 has been established through orbitals derived from multiconfigurational CASSCF calculations accounting for the non-dynamic electron correlation.