Accuracy

titanium(iv) oxide difluoride   2924 Titanium(IV) oxide difluoride

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    #  Species Formula
  2914 d1 [Ti(III)(H2O)6]3+ 2TgH12O6Ti
  2915 Ti(II)(H2O)6H12O6Ti
  2916 Ti(II)(H2O)6 (Geo)H12O6Ti
  2917 TiFFTi
  2918 Titanium(I) fluoride (Geo)FTi
  2919 Titanium(I) fluorideFTi
  2920 TiFOOFTi
  2921 Titanium difluorideF2Ti
  2922 TiOF2OF2Ti
  2923 Titanium(IV) oxide difluoride (Geo)OF2Ti
  2924 Titanium(IV) oxide difluoride OF2Ti
  2925 Ti(III)F2(H2O)4 (+) (SIXXAY) (Geo)H8O4F2Ti
  2926 Ti(III)F2(H2O)4(+) (SIXXAY)H8O4F2Ti
  2927 Titanium trifluorideF3Ti
  2928 TiF4 (Geo)F4Ti
  2929 Titanium tetrafluorideF4Ti
  2930 Titanium tetrafluoride anionF4Ti
  2931 Titanium(III) tetrafluoride 2EF4Ti
  2932 Titanium pentafluoride anionF5Ti
  2933 Ti(IV)F6(2-) (KOYXOL) (Geo)F6Ti
  2934 Ti(IV)F6(2-)F6Ti


Dipole: 3.3 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.: 8.1 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.
  
 PM7
Titanium(IV) oxide difluoride
 I=8.13 IR=PW91D D=3.28 DR=PW91D
 Ti     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.71881034 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.71899976 +1  137.1094736 +1    0.0000000 +0     1     2     0
  O     1.63773424 +1  111.5793039 +1  178.6894321 +1     1     2     3