PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

hg(ii)br4(2-) (bopgoc11)   7954 Hg(II)Br4(2-) (BOPGOC11)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  7944 Mercury bromideBrHg
  7945 Methylmercuric bromide (Geo)CH3BrHg
  7946 Methylmercuric bromideCH3BrHg
  7947 Ethylmercuric bromideC2H5BrHg
  7948 Hg(II)Br2 (ACNHGB) (Geo)Br2Hg
  7949 Hg(II)Br2 (ACNHGB)Br2Hg
  7950 Mercury dibromide (Geo)Br2Hg
  7951 Mercury dibromideBr2Hg
  7952 18-Crown-6-dibromo-mercury(ii) (POLKEG) (Geo)C12H24O6Br2Hg
  7953 Hg(II)Br4(2-) (BOPGOC11) (Geo)Br4Hg
  7954 Hg(II)Br4(2-) (BOPGOC11) Br4Hg
  7955 Mercury iodide (Geo)IHg
  7956 Methylmercuric iodide (Geo)CH3IHg
  7957 Methylmercuric iodideCH3IHg
  7958 Ethylmercuric iodideC2H5IHg
  7959 Mercury diiodide (Geo)I2Hg
  7960 Mercury diiodideI2Hg
  7961 18-Crown-6-diiodo-mercury (DENZUR03) (Geo)C12H24O6I2Hg
  7962 Hg(II)S2I2 (HGITUR) (Geo)C2H8N4S2I2Hg
  7963 Hg(II)S2I2 (HGITUR)C2H8N4S2I2Hg
  7964 Hg(II)I4(2-) (DUFHOB10) (Geo)I4Hg


ΔHf: -123.9 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.
  
 CHARGE=-2 PM7
Hg(II)Br4(2-) (BOPGOC11)
 H=-123.9 HR=PW91D
 Hg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.53991238 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.54025861 +1  109.4448480 +1    0.0000000 +0     1     2     0
 Br     2.53956164 +1  109.3134959 +1  119.9335456 +1     1     2     3
 Br     2.53978197 +1  109.6636254 +1  120.0205465 +1     1     2     4