Abstract
The structural parameters of the (2Σ+//C∞v )-YbF, (1A1//C2v )-YbF2, (2A 2 ′ //D3h )-YbF3, (1Ag//D2h )-YbF2Yb, (1Ag//C2h )-FYbF2YbF, (1A1//C2v )-FYbF2YbF, (1A1//C2v )-YbF2YbF2, (3B3u //D2h )-F2YbF2YbF2, (2A′//C s )-FYbF2YbF2, and (3B2//С2v )-F2YbF2CeF2 molecules have been determined. Disproportionation of ytterbium monofluoride (2YbF → YbF2 + Yb + 0.46 eV) is less exothermic than dimerization (2YbF → YbF2Yb + 2.10 eV). The bond energy of the ytterbium difluoride molecules in the trans dimer (2.93 eV) exceeds those in the cis dimer (2.86 eV) and the coaxial dimer (1.66 eV). Ytterbium trifluoride dimerizes exothermically (2.95 eV) without spin pairing. The dipole and quadrupole moments of the molecules as well as the charges and spin populations of the atoms and the valence electron configurations of the lanthanides have been calculated.
Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
