178383-67-0

Basic information

• Product Name: Mo₂(O₂CC₆H₃-2-Cl-4-NO₂)4
• CAS NO: 178383-67-0
• Molecular Weight: 994.112
• Mol File: 178383-67-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Mo₂(O₂CC₆H₃-2-Cl-4-NO₂)4(CAS DataBase Reference)
• NIST Chemistry Reference: Mo₂(O₂CC₆H₃-2-Cl-4-NO₂)4(178383-67-0)
• EPA Substance Registry System: Mo₂(O₂CC₆H₃-2-Cl-4-NO₂)4(178383-67-0)

Safety Data

• Hazardous Substances Data: 178383-67-0(Hazardous Substances Data)

Upstream product

• 14221-06-8 tetrakis(acetato)dimolybdenum(II) 
• 99-60-5 2-chloro-4-nitrobenzoic acid 

Relevant articles and documents

Nitro-substituted benzoates of dimolybdenum: The Mo24+ δ to ligand charge transfer band

The preparation and characterization of a series of Mo2(O2CAr′)4 compounds, where Ar′ is a nitrosubstituted phenyl group, are described. The introduction of the NO2 group in the 4-(para) position causes a significant red-shift of a metal-to-ligand charge transfer (MLCT) band such that these compounds are intensely purple in solution: λmax ca. 540 nm with ε ～15 000 M-1 cm-1. The cinnamate derivative (O2CCH=CHPh-4-NO2) shows a further red-shift of this MLCT band while the 3-NO2 (meta) derivatives are only slightly red-shifted compared to the parent benzoate Mo2(O2CPh)4. The cyclic voltammograms for Mo2(O2CR)4, where R = Me, tBu, n-octyl, Ph, C6H4-4-NO2, and C6H4-3-NO2 reveal how substituents on R influence the ease of oxidation from the δ orbital. The structure of Mo2(O2CC6H4-3-NO2) 4 was determined by a single crystal X-ray diffraction study as its pyridine adduct with additional pyridine in the lattice. Crystal data for Mo2(O2CC6H4-3-NO2) 4(py)2·2py at -174°C: a = 10.982(2) A, b = 20.457(4) A, c = 10.615(2) A, α = 93.82(1)°, β = 90.49(1)°, γ = 98.31(1)°, Z = 2, dcalc = 1.65 g cm-3 and space group P1. The nature of the MLCT band is discussed in the light of Fenske-Hall MO calculations on Mo2(O2C6H5)4, Mo2(O2C6H4-4-NO2) 4, Mo2(O2CC6H4-3-NO2) 4, and Mo2(O2C6H3-2-Cl-4-NO 2)4.