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

dimethyl tungsten(vi) dioxider   7353 Dimethyl tungsten(VI) dioxide (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  7343 Tungsten, cationW
  7344 Tungsten, atomW
  7345 Bicyclopentadienyl tungsten dihydrideC10H12W
  7346 Dibenzene tungstenC12H12W
  7347 Dibenzene tungsten (Geo)C12H12W
  7348 Bicyclopentadienyl ethylene tungsten (Geo)C12H14W
  7349 W(Cp)2C (BATKIQ) (Geo)C17H16W
  7350 W(Cp)2C (BATKIQ)C17H16W
  7351 W(II)(NH3)6H18N6W
  7352 W(II)(NH3)6 (Geo)H18N6W
  7353 Dimethyl tungsten(VI) dioxide (Geo) C2H6O2W
  7354 Tungsten trioxideO3W
  7355 1,3,5-Trimethylbenzene tungsten tricarbonylC12H12O3W
  7356 Tungstic acid (WO2(OH)2)H2O4W
  7357 Pyridine tungsten(VI) pentacarbonylC10H5NO5W
  7358 Piperidine tungsten(VI) pentacarbonylC10H11NO5W
  7359 W(II)(H2O)6H12O6W
  7360 W(II)(H2O)6 (Geo)H12O6W
  7361 Tungsten hexacarbonylC6O6W
  7362 Tungsten hexacarbonyl (Geo)C6O6W
  7363 Tungsten(I) fluorideFW


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.
  
 PM7
Dimethyl tungsten(VI) dioxide
 <W-C> <W=O> <C-W=O> GR=PW91D
  W     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.12476200 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.75907100 +1  110.3400630 +1    0.0000000 +0     1     2     0
  O     1.78447274 +1  106.0746840 +1  131.9638417 +1     1     2     3
  C     2.00313665 +1  101.8197105 +1  113.3357916 +1     1     2     4
  H     1.09142575 +1  112.0981078 +1   53.3742104 +1     2     1     3
  H     1.09213755 +1  111.5235654 +1  122.3793156 +1     2     1     6
  H     1.09661089 +1  109.8727614 +1  118.5185918 +1     2     1     7
  H     1.10351743 +1  113.1805345 +1  -61.4166785 +1     5     1     2
  H     1.10371976 +1  113.0833241 +1  122.6837055 +1     5     1     9
  H     1.10855565 +1  111.3753876 +1  118.5689571 +1     5     1    10