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Isolation of a Ge(I) Diradicaloid and Dihydrogen Splitting.

Mahendra K SharmaFalk EbelerTimo GloddeBeate NeumannHans-Georg StammlerRajendra S Ghadwal
Published in: Journal of the American Chemical Society (2020)
The cyclic Ge(I) compound [(ADCPh)Ge]2 (4) (ADCPh = {CN(Dipp)}2CPh, Dipp = 2,6-iPr2C6H3) containing a 6π-electron C4Ge2 framework has been isolated as a red crystalline solid. CASSCF calculations reveal a closed-shell singlet ground state for 4 with a considerable diradical character (y = 34%). Thus, the diradicaloid 4 readily splits dihydrogen at room temperature to yield the elusive bis-hydridogermylene [(ADCPh)GeH]2 (5).
Keyphrases
  • room temperature
  • ionic liquid
  • molecular dynamics
  • molecular dynamics simulations
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  • genome wide