Oxo-phthalocyaninato-molybdenum (IV), PcMoO, was obtained in form of violet crystals by the reaction of Mo(CO)6 with phthalodinitrile in toluene at 180 °C in a sealed tube. It crystallizes isotypically with the monoclinic form of PcTiO in the space group P21/c: a = 1344.1(3). b = 1329.2(2), c = 1404.1(3) pm, β = 103.81(1)°, Z = 4. The structure is built up by monomeric molecules in which the Mo atom exhibits a square pyramidal coordination. It is located 69 pm above the plane of the phthalocyaninato ligand and forms a short bond of 166.8 pm to the O atom. The Mo-N distances range from 206.8 to 211.2 pm. In the IR spectrum ν(Mo = O) is observed at 965 cm-1. Partial oxidation of PcMoO with I2 yields semi-conducting PcMoOIx (x = 1 .4-2.6) with electrical conductivity of 10-5 to 10-4 S/cm.
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