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4853 Niobium(V) hexabromide, anion

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  #           Species Formula
  4843 Niobium(III) tribromideBr3Nb
  4844 Niobium(V) oxide tribromide (Geo)OBr3Nb
  4845 Niobium(V) oxide tribromideOBr3Nb
  4846 NbS3Br3 (CANBEY) (Geo)C8H16S3Br3Nb
  4847 NbS3Br3 (CANBEY)C8H16S3Br3Nb
  4848 niobium(V) tetrabromide, cation (Geo)Br4Nb
  4849 niobium(V) tetrabromide, cationBr4Nb
  4850 Niobium pentabromide (Geo)Br5Nb
  4851 Niobium(V) pentabromideBr5Nb
  4852 Nb(V)Br6 (Geo)Br6Nb
  4853 Niobium(V) hexabromide, anion Br6Nb
  4854 Nb(IV)Br6 2T2gBr6Nb
  4855 Nb6Cl12, dication (Geo)Cl12Nb6
  4856 Nb6Cl12, dicationCl12Nb6
  4857 Nb6Br12, dication (Geo)Br12Nb6
  4858 Nb6Br12, dicationBr12Nb6
  4859 Molybdenum, dicationMo
  4860 Molybdenum, cationMo
  4861 Molybdenum, atomMo
  4862 Bicyclopentadienyl molybdenum dihydrideC10H12Mo
  4863 Bicyclopentadienyl molybdenum dihydride (Geo)C10H12Mo



DHf: -211.2 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.
I.P.: 3.0 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.

  
 SYMMETRY CHARGE=-1 SHIFT=20 PULAY
Niobium(V) hexabromide, anion
 I=3.039 IR=PW91D H=-211.2 HR=PW91D
 Br         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
 Nb         2.55306281 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
 Br         2.55306281 +1   90.0000000 +1    0.0000000 +0    2    1    0       0.0000
 Br         2.55306281 +1   90.0000000 +1  180.0000000 +1    2    3    1       0.0000
 Br         2.55306281 +1   90.0000000 +1  180.0000000 +1    2    4    3       0.0000
 Br         2.55306281 +1   90.0000000 +1   90.0000000 +1    2    3    4       0.0000
 Br         2.55306281 +1   90.0000000 +1  -90.0000000 +1    2    3    4       0.0000