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3385 Fe(III)(H2O)6 4T(g)

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  #           Species Formula
  3375 FeN3O2 (Geo)C16H11N5O4Fe
  3376 Fe(CO)5 (FOJBOV) (Geo)C5O5Fe
  3377 Fe(CO)5 (FOJBOV)C5O5Fe
  3378 FeCp(CO)2(NO3) (CNOFEA) (Geo)C7H5NO5Fe
  3379 FeCp(CO)2(NO3) (CNOFEA)C7H5NO5Fe
  3380 Fe(II)(H2O)4(OH)2H10O6Fe
  3381 Fe(II)(H2O)4(OH)2 (Geo)H10O6Fe
  3382 Fe(II)(H2O)5.OHH11O6Fe
  3383 Fe(II)(H2O)5.OH (Geo)H11O6Fe
  3384 Fe(III)(H2O)6 4A(g)H12O6Fe
  3385 Fe(III)(H2O)6 4T(g) H12O6Fe
  3386 Fe(III)(H2O)6 4T(g)(2)H12O6Fe
  3387 Fe(III)(H2O)6H12O6Fe
  3388 Fe(III)(H2O)6 (Geo)H12O6Fe
  3389 Fe(III)(Water)6 2TgH12O6Fe
  3390 Fe(II)(H2O)6 5EgH12O6Fe
  3391 Fe(II)(H2O)6 5TgH12O6Fe
  3392 Fe(II)(H2O)6H12O6Fe
  3393 Fe(II)(H2O)6, 2+ion (Geo)H12O6Fe
  3394 Fe(CO)3C2 (FCPENO) (Geo)C8H2O6Fe
  3395 Fe(CO)3C2 (FCPENO)C8H2O6Fe



For electronic state 1,4,TG
DHf: 36.0 kcal/mol,     REF: J. S. Griffith, "The Theory of Transition-Metal Ions", Cambridge University Press, 1961.

  
 CHARGE=3 MS=1.5 OPEN(5,6) MECI SHIFT=80 SYMMETRY
Fe(III)(H2O)6 4T(g)
 H=36 HR=GRIFFITH ROOT=1,4,TG
 Fe         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
  O         2.03896351 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  O         2.03896351 +0   90.0000000 +0    0.0000000 +0    1    2    0       0.0000
  O         2.03896351 +0   90.0000000 +0   90.0000000 +0    1    2    3       0.0000
  O         2.03896351 +0   90.0000000 +0   90.0000000 +0    1    2    4       0.0000
  O         2.03896351 +0   90.0000000 +0   90.0000000 +0    1    2    5       0.0000
  O         2.03896351 +0   90.0000000 +0 -180.0000000 +0    1    6    2       0.0000
  H         0.99011660 +1  129.0503972 +1    0.0000000 +0    2    1    3       0.0000
  H         0.99011660 +0  129.0503972 +0 -180.0000000 +0    2    1    8       0.0000
  H         0.99011660 +0  129.0503972 +0    0.0000000 +0    7    1    3       0.0000
  H         0.99011660 +0  129.0503972 +0 -180.0000000 +0    7    1   10       0.0000
  H         0.99011660 +0  129.0503972 +0    0.0000000 +0    4    1    2       0.0000
  H         0.99011660 +0  129.0503972 +0 -180.0000000 +0    4    1   12       0.0000
  H         0.99011660 +0  129.0503972 +0 -180.0000000 +0    6    1    2       0.0000
  H         0.99011660 +0  129.0503972 +0 -180.0000000 +0    6    1   14       0.0000
  H         0.99011660 +0  129.0503972 +0   90.0000000 +0    3    1    2       0.0000
  H         0.99011660 +0  129.0503972 +0 -180.0000000 +0    3    1   16       0.0000
  H         0.99011660 +0  129.0503972 +0   90.0000000 +0    5    1    2       0.0000
  H         0.99011660 +0  129.0503972 +0 -180.0000000 +0    5    1   18       0.0000