Accuracy

pb(iv)i6(2-) (follib)   8151 Pb(IV)I6(2-) (FOLLIB)

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

    

    #  Species Formula
  8141 Lead tellurideTePb
  8142 Lead telluride (Geo)TePb
  8143 Lead iodideIPb
  8144 Lead iodide (Geo)IPb
  8145 Lead diiodideI2Pb
  8146 Lead diiodide (Geo)I2Pb
  8147 18-Crown-6-diiodo-lead(II) (TOJPIR) (Geo)C12H24O6I2Pb
  8148 Pb(II)O6I2 (TOJPIR) (Geo)C12H24O6I2Pb
  8149 Pb(II)O6I2 (TOJPIR)C12H24O6I2Pb
  8150 Pb(IV)I6(2-) (FOLLIB) (Geo)I6Pb
  8151 Pb(IV)I6(2-) (FOLLIB) I6Pb
  8152 Lead, dimerPb2
  8153 HexamethyldiplumbaneC6H18Pb2
  8154 Hexamethyldiplumbane (Geo)C6H18Pb2
  8155 Pb(II)(Cp)F2 (VALVOT) (Geo)C20H30B2F8Pb2
  8156 Pb(II)S3 (GIGBIH) (Geo)C8N4S4Pb2
  8157 Pb(II)S3 (GIGBIH)C8N4S4Pb2
  8158 bis(mu-2-iodo)-tetrakis(iodo)-di-lead (GOGNEV) (Geo)I6Pb2
  8159 Bismuth, dicationBi
  8160 Bismuth, cationBi
  8161 Bismuth, atomBi


ΔHf: -67.2 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.
  
 CHARGE=-2 PM7
Pb(IV)I6(2-) (FOLLIB)
 H=-67.2 HR=PW91D
 Pb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.88464324 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.88465927 +1   90.0033807 +1    0.0000000 +0     1     2     0
  I     2.88439235 +1   90.0005209 +1   89.9984413 +1     1     2     3
  I     2.88462124 +1   90.0046138 +1  179.9906156 +1     1     4     2
  I     2.88472488 +1   89.9976083 +1   89.9965820 +1     1     2     4
  I     2.88435578 +1   90.0047336 +1   90.0153988 +1     1     2     6