PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

molybdenum(vi) dichloride dioxide   4864 Molybdenum(VI) dichloride dioxide

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    #  Species Formula
  4854 Bicyclopentadienyl di(thio-n-butyl) molybdenumC18H28S2Mo
  4855 Bicyclopentadienyl di(thio-t-butyl) molybdenumC18H28S2Mo
  4856 Mo(VI)S2O2N2 (FINJOB) (Geo)C8H20N2O2S2Mo
  4857 Mo(VI)S2O2N2 (FINJOB)C8H20N2O2S2Mo
  4858 Mo(VI)S4(2-) (AMEHEF) (Geo)S4Mo
  4859 Mo(VI)S4(2-) (AMEHEF)S4Mo
  4860 Molybdenum(I) chloride (Geo)ClMo
  4861 Molybdenum(I) chlorideClMo
  4862 Bicyclopentadienyl molybdenum dichlorideC10H10Cl2Mo
  4863 mo(cp)2Cl2C10H10Cl2Mo
  4864 Molybdenum(VI) dichloride dioxide O2Cl2Mo
  4865 Molybdenum(VI) dioxide dichlorideO2Cl2Mo
  4866 Molybdenum dioxide dichloride (Geo)O2Cl2Mo
  4867 Mo(VI)O2Cl2N2 (AGANIF) (Geo)C10H8N2O2Cl2Mo
  4868 Mo(VI)O2Cl2N2 (AGANIF)C10H8N2O2Cl2Mo
  4869 Mo(VI)O2Cl2N2 (AGANEB) (Geo)C8H6N4O2Cl2Mo
  4870 Mo(VI)O2Cl2N2 (AGANEB)C8H6N4O2Cl2Mo
  4871 Molybdenum(III) trichlorideCl3Mo
  4872 Mo(III)Cl3O3 (BOHYEC) (Geo)C3H12N6O3Cl3Mo
  4873 Molybdenum(IV) tetrachlorideCl4Mo
  4874 Molybdenum(VI) oxide tetrachlorideOCl4Mo


Dipole: 0.9 Debye,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
I.P.: 8.5 eV,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PULAY SHIFT=80 PM7
Molybdenum(VI) dichloride dioxide
 I=8.46 IR=PW91D D=0.86 DR=PW91D
 Mo     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.30093175 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.70084478 +1  104.1976015 +1    0.0000000 +0     1     2     0
  O     1.70068482 +1  103.3634966 +1  105.8560214 +1     1     2     3
 Cl     2.30122031 +1  135.5064080 +1  125.8331505 +1     1     2     4