Accuracy

titanium(i) bromide   4201 Titanium(I) bromide

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

    

    #  Species Formula
  4191 Calcium monobromideCaBr
  4192 Calcium hydroxide bromideHOCaBr
  4193 Ca(++)(H2O)5.BrH10O5CaBr
  4194 Ca(++)(H2O)5.Br (Geo)H10O5CaBr
  4195 Scandium(I) bromideScBr
  4196 Scandium(I) bromide (Geo)ScBr
  4197 Scandium(III) oxide bromideOScBr
  4198 Scandium(III) oxide bromide (Geo)OScBr
  4199 Scandium F Cl Br (Geo)FClScBr
  4200 Titanium(I) bromide (Geo)TiBr
  4201 Titanium(I) bromide TiBr
  4202 Vanadium(I) bromideVBr
  4203 Vanadium(I) bromide (Geo)VBr
  4204 Vanadium(V) bromide dioxideO2VBr
  4205 Vanadium(V) bromide dioxide (Geo)O2VBr
  4206 V(IV)O5N (AVIDUE) (Geo)C9H10NO6VBr
  4207 Chromium(I) bromideCrBr
  4208 Chromium(I) bromide (Geo)CrBr
  4209 Manganese(I) bromideMnBr
  4210 Manganese(I) bromide (Geo)MnBr
  4211 Mn(CO)5BrC5O5MnBr


Dipole: 3.5 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.: 4.5 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.
  
 PM7
Titanium(I) bromide
 I=4.49 IR=PW91D D=3.50 DR=PW91D
 Ti     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.29683385 +1    0.0000000 +0    0.0000000 +0     1     0     0