Formula Unicode styled:
[Mo(O)₄]²⊖
Compound name(s):
tetraoxo-molybdenum(2-)
Central atom:
Charge on formula unit (QN):
2–
Attached groups:
Compound type:
Notes:
The four oxo groups as a tetrahedral set are classified as X8L (neutral representation, 10 electrons, σ and π-bonding) for the d-block metal rather than X8 (four X2 groups). The four oxygen atoms possess 16 valence orbitals (24 electrons) and may be treated as sp hybridised. Four (occupied) point away from the metal and are non-bonding (8 electrons). Three of the π-orbitals are represented as T1, have no corresponding combination on the metal (6 electrons), and so are non-bonding. The remaining ten electrons constitute the X8L class. Overall there are nine bonding orbitals (A1, E, 2T2) in point group (Td) connecting the four oxo groups set with the metal. See:
- T.Ziegler, A.Rauk, and E.J.Baerends, Chem. Phys., 1976; 16, 209-217, https://doi.org/10.1016/0301-0104(76)80056-0.
- H.B.Gray, Coord. Chem. Rev., 1966; 1, 2-6, https://doi.org/10.1016/S0010-8545(00)80146-0.
- M.L.H. Green, J. Organomet. Chem., 1995, 500, 127-148, https://doi.org/10.1016/0022-328X(95)00508-N.
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:
[MX8L1]2-
MLXZ class (ENC, equivalent neutral class):
MX6L3
Summary of calculated classifications:
Mo«V6C4OVIE18B9Z0X8L1»2⊖
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:
O4
Phase:
InChIKey (see www.inchi-trust.org):
OIWNKWCCAHRVLC-UHFFFAOYSA-N