Accuracy

manganese(i) iodide   5910 Manganese(I) iodide

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  5900 Titanium(I) iodide (Geo)TiI
  5901 Titanium(I) iodideTiI
  5902 Ti(III)Cp2I (PEMKOH) (Geo)C18H26TiI
  5903 Ti(III)Cp2I (PEMKOH)C18H26TiI
  5904 Vanadium(I) iodideVI
  5905 Vanadium(I) iodide (Geo)VI
  5906 Vanadium(V) iodide dioxideO2VI
  5907 Vanadium(V) iodide dioxide (Geo)O2VI
  5908 Chromium(I) iodideCrI
  5909 Chromium(I) iodide (Geo)CrI
  5910 Manganese(I) iodide MnI
  5911 Manganese(I) iodide (Geo)MnI
  5912 Mn(CO)3N2I (YOMHEN) (Geo)C13H8N2O3MnI
  5913 Mn(CO)3N2I (YOMHEN)C13H8N2O3MnI
  5914 Mn(CO)5I (VUCFAA) (Geo)C5O5MnI
  5915 Mn(CO)5IC5O5MnI
  5916 Manganese IS (Geo)HSMnI
  5917 Manganese I F PH2 SH (Geo)H3FPSMnI
  5918 Iron(I) iodide (Geo)FeI
  5919 Iron(I) iodideFeI
  5920 Fe(CO)3(C3H6)IC6H5O3FeI


Dipole: 4.2 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.: 4.7 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
Manganese(I) iodide
 I=4.656 IR=PW91D D=4.246 DR=PW91D
  I     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Mn     2.31835684 +1    0.0000000 +0    0.0000000 +0     1     0     0