Skip to main content
. 2021 Apr 23;6(17):11404–11410. doi: 10.1021/acsomega.1c00391

Table 1. Structure and Properties of [Hf(BH4)n].

    ED (eV)
    
[Hf(BH4)n] (n) Hf···B distance (Å) BH3 + Ha BH4b IP (eV) EA (eV)
4 2.278 2.07 4.26 10.108 –0.912
3 2.257 2.58 4.59 7.395 –0.919
2 2.203 3.52 5.68 7.607 –0.929
a

H atom remains coordinated to the central Hf atom and BH3 is lost (intermediate state).

b

Complete removal of the −BH4 ligand.