Accuracy

dimethylmercury   7889 Dimethylmercury

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

   

    #  Species Formula
  7879 Au(I)2P2I2 (FUWFIM) (Geo)C6H18P2I2Au2
  7880 (Au(CH3)2(CN))4C12H24N4Au4
  7881 (Au(CH3)2(CN))4 (Geo)C12H24N4Au4
  7882 Mercury, dicationHg
  7883 Mercury, cationHg
  7884 Mercury, atomHg
  7885 Mercury hydride (Geo)HHg
  7886 Mercury hydrideHHg
  7887 MethylmercuryCH3Hg
  7888 Dimethylmercury, cationC2H6Hg
  7889 Dimethylmercury C2H6Hg
  7890 DiethylmercuryC4H10Hg
  7891 Di-n-propylmercuryC6H14Hg
  7892 DiisopropylmercuryC6H14Hg
  7893 DiphenylmercuryC12H10Hg
  7894 Methylmercuric cyanide (Geo)C2H3NHg
  7895 Methylmercuric cyanideC2H3NHg
  7896 Hg(CN)2 (Geo)C2N2Hg
  7897 Mercuric cyanideC2N2Hg
  7898 Mercury oxide (Geo)OHg
  7899 Hg(II)CN(+) (BAVMUG) (Geo)C9H12NOHg


ΔHf: 22.3 kcal/mol,     REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
I.P.: 9.3 eV,     REF: Tl. P. Fahler, J. Ulman, W. A. Nugent, J. K. Kochi, Inorg. Chem. 15, 2544 (1976).
  
 PM7
Dimethylmercury
 H=22.3 I=9.33 HR=WEPS1982 IR=FUNK1976
 Hg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.07325458 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09600463 +1  111.5177216 +1    0.0000000 +0     2     1     0
  C     2.07324488 +1  179.9571149 +1 -179.9728903 +1     1     2     3
  H     1.09598266 +1  111.5134571 +1 -101.7870575 +1     4     1     3
  H     1.09599996 +1  111.5090202 +1  120.0207742 +1     2     1     3
  H     1.09600617 +1  111.4897162 +1 -119.9882624 +1     2     1     3
  H     1.09597535 +1  111.5188530 +1  138.3544378 +1     4     1     6
  H     1.09597824 +1  111.4923841 +1 -101.6517302 +1     4     1     6