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4886 Mo(VI)O5 (BOWRUA)

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  #           Species Formula
  4876 Mo(VI)C4O2 (ACESIK) (Geo)C6H18O2Mo
  4877 Mo(VI)C4O2 (ACESIK)C6H18O2Mo
  4878 Molybdenum(VI) oxideO3Mo
  4879 Cyclopentadienyl molybdenum nitrosyl dicarbonylC7H5NO3Mo
  4880 Cyclopentadienyl molybdenum nitrosyl dicarbonyl (Geo)C7H5NO3Mo
  4881 Mo(II)C5ON2 (ACPSMO) (Geo)C23H20N2O3Mo
  4882 Mo(VI)O4(2-) (CHAMMO) (Geo)O4Mo
  4883 Mo(VI)O4(2-) (CHAMMO)O4Mo
  4884 Molybdic acid (H2MoO4)H2O4Mo
  4885 Mo(VI)O5 (BOWRUA) (Geo)C4H8O5Mo
  4886 Mo(VI)O5 (BOWRUA) C4H8O5Mo
  4887 Mo(II)(H2O)6H12O6Mo
  4888 Mo(II)(H2O)6 (Geo)H12O6Mo
  4889 Molybdenum hexacarbonyl (Geo)C6O6Mo
  4890 Molybdenum hexacarbonylC6O6Mo
  4891 Molybdenum dioxide di(acetylacetonate)C10H14O6Mo
  4892 Mo(acac)3C15H21O6Mo
  4893 Mo(III)O6 (ACACMO) (Geo)C15H21O6Mo
  4894 Mo(III)O6 (ACACMO)C15H21O6Mo
  4895 Mo(III)(Ox)3C6O12Mo
  4896 Mo(III)(Ox)3 (Geo)C6O12Mo



DHf: -228.4 kcal/mol,     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.

  

Mo(VI)O5 (BOWRUA)
 H=-228.4 HR=PW91D
 Mo         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
  O         1.69768703 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  O         1.69720895 +1  113.5885112 +1    0.0000000 +0    1    2    0       0.0000
  O         1.87999103 +1  114.5199320 +1 -123.9448408 +1    1    2    3       0.0000
  O         3.63610575 +1  162.7500331 +1  -56.8786881 +1    1    2    4       0.0000
  C         1.42056140 +1  140.3186358 +1  177.9366523 +1    4    1    2       0.0000
  C         1.44449816 +1   68.2850902 +1  113.2710326 +1    5    1    2       0.0000
  H         1.10830700 +1  106.3945568 +1 -131.2637119 +1    6    4    1       0.0000
  H         1.11235099 +1  105.3301155 +1 -118.2043588 +1    6    4    8       0.0000
  H         1.11052810 +1  112.1868596 +1   61.3363941 +1    7    5    1       0.0000
  H         1.11066911 +1  102.6950349 +1  116.6282911 +1    7    5   10       0.0000
  O         1.88104020 +1  114.1836349 +1  -55.6705844 +1    1    2    5       0.0000
  C         1.44403715 +1   67.8848684 +1  133.7777086 +1    5    1    7       0.0000
  C         1.53577946 +1  109.2641413 +1   64.8599901 +1   13    5    1       0.0000
  H         1.11081536 +1  112.2533700 +1 -125.9994790 +1   13    5   14       0.0000
  H         1.11077075 +1  102.7647620 +1 -116.6037093 +1   13    5   15       0.0000
  H         1.10867816 +1  112.4668196 +1  159.7079871 +1   14   13    5       0.0000
  H         1.11217212 +1  112.0549567 +1 -126.2217138 +1   14   13   17       0.0000