Accuracy

rhodium tetracarbonyl, anion   5120 Rhodium tetracarbonyl, anion

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    #  Species Formula
  5110 Rh(III)N6(3+) (CRHENC) (Geo)C6H24N6Rh
  5111 Rh(III)N6(3+) (CRHENC)C6H24N6Rh
  5112 Rh(III)N6(3+) (VENYAO) (Geo)C12H18N6Rh
  5113 Rh(III)N6(3+) (VENYAO)C12H18N6Rh
  5114 Rh(III)N6(3+) (HOHKEU) (Geo)C12H30N6Rh
  5115 Rh(III)N6(3+) (HOHKEU)C12H30N6Rh
  5116 Rhodium(II) oxideORh
  5117 Rhodium(II) oxide (Geo)ORh
  5118 Rh(III)N6(3+) (LEJCUY) (Geo)C18H39N7O2Rh
  5119 Rhodium tetracarbonyl, anion (Geo)C4O4Rh
  5120 Rhodium tetracarbonyl, anion C4O4Rh
  5121 Rh(III)N6 (GOYRER) (Geo)C24H16N6O4Rh
  5122 Rhodium pentacarbonyl, cation (Geo)C5O5Rh
  5123 Rhodium pentacarbonyl, cationC5O5Rh
  5124 Rhodium(III) hexaquo (Geo)H12O6Rh
  5125 Rh(II)(H2O)6H12O6Rh
  5126 Rh(II)(H2O)6 (Geo)H12O6Rh
  5127 Rh(III)O6(3-) (CAZCIP) (Geo)C6O12Rh
  5128 Rhodium(I) fluoride (Geo)FRh
  5129 Rhodium(I) fluorideFRh
  5130 Rh(III)P3C3 (KIJSEB) (Geo)C12H36P3Rh


ΔHf: -135.9 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.: 1.0 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.
  
 CHARGE=-1 PM7
Rhodium tetracarbonyl, anion
 I=0.98 IR=PW91D H=-135.9 HR=PW91D
 Rh     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.58860940 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.09365732 +1  119.6476844 +1    0.0000000 +0     1     2     0
  C     2.10850186 +1  115.5227507 +1 -122.2759378 +1     1     2     3
  C     2.11505050 +1  112.6181543 +1 -117.6949161 +1     1     2     4
  O     1.16353369 +1   84.2075499 +1 -141.9726120 +1     3     2     5
  O     1.16425902 +1   80.9494371 +1  178.3070111 +1     4     2     1
  O     1.16488642 +1   78.9345724 +1 -178.1469209 +1     5     2     1
  O     1.16111058 +1  142.2684487 +1 -143.1968293 +1     2     3     4