Metal-coordinated distibene and dibismuthene dications - isoelectronic analogues of butadiene dications.

Hanns Micha WeinertYannick SchulteAlexander GehlhaarChristoph WölperGebhard Haberhauer Stephan Schulz

Published in: Chemical communications (Cambridge, England) (2023)

We report the synthesis and solid-state structures of DMAP-coordinated ([L(DMAP)GaPn] 2 [OTf] 2 ; Pn = Sb 3, Bi 4) and base-free dipnictene dications ([LGaPn] 2 [BArF x ] 2 , Pn = Sb: x = 24, 5a; 20, 5b; Bi: x = 24, 6a; 20, 6b). Quantum chemical calculations indicate that the dications 5 2+ and 6 2+ represent isoelectronic analogues of the butadiene dication.

Keyphrases

solid state
molecular dynamics
molecular docking
density functional theory
high resolution
monte carlo
quantum dots
energy transfer