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[Ga@Bi 10 (NbMes) 2 ] 3- : a linear Nb-Ga I -Nb filament coordinated by a bismuth cage.

Lei QiaoTao YangGernot FrenkingZhong-Ming Sun
Published in: Chemical communications (Cambridge, England) (2023)
In this work, we report a low-valent Ga(I) complex, [Ga@Bi 10 (NbMes) 2 ] 3- , with a linear Nb-Ga-Nb fragment, representing the first compound with Nb-Ga and Nb-Bi bonds. Quantum-chemical calculations reveal that the complex is an electron-precise cluster. The possible fragmentation pathway of the title cluster was studied by using electrospray ionization mass spectrometry and theoretical calculations.
Keyphrases
  • pet ct
  • mass spectrometry
  • molecular dynamics
  • density functional theory
  • molecular dynamics simulations
  • high resolution
  • genome wide