Formula Unicode styled:
[Hf(η⁸-C₈Me₆)₂]
Compound name(s):
bis(permethylpentalene)-hafnium
Central atom:
Charge on formula unit (QN):
0
Attached groups:
Compound type:
Notes:
The two pentalene groups as a set contribute 14 electrons (neutral counting, X4L5) rather than 16 (eight for each pentalene) to the d-block metal. This is because one of the ten ligand orbitals set associated with the two pentalene groups no match with the metal atomic orbitals (there are only nine available, sp3d5). The result is a formal metal electron count reduction of two two. This limitation is removed when f-orbitals are available. See:
- R.B. KIng, J. Appl. Organomet. Chem., 2003, 17, 393-397-253, https://onlinelibrary.wiley.com/doi/epdf/10.1002/aoc.444.
DOI link to literature report:
Crystal data CSD link:
Crystal data ICSD link:
Valence Number (VN) = 𝘹 + 2𝘻 :
Coordination Number (CN, sum of attached group denticities):
Oxidation Number (ON) (Roman numerals):
Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:
Bond number (BN) = 𝘹 + 𝘭 + 𝘻:
9
[MLXZ]𝘲 class:
[MX4L5]
MLXZ class (ENC, equivalent neutral class):
MX4L5
Summary of calculated classifications:
Hf«V4C8OIVE18B9Z0X4L5»
Geometry:
𝘥-electron configuration = 𝘮 – VN:
d0
𝘥-electron configuration = 𝘮 – ON:
d10
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲:
d0
Attached atoms:
C16
Phase:
InChIKey (see www.inchi-trust.org):
FMQHNPLFKCKDFB-UHFFFAOYSA-N