Accuracy

ethylmercuric chloride   7926 Ethylmercuric chloride

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

    

    #  Species Formula
  7916 Hg(II)S2 (AQONOJ) (Geo)C4H6O4S2Hg
  7917 Hg(II)S2 (AQONOJ)C4H6O4S2Hg
  7918 Hg(II)S4 (HGETCB10) (Geo)C10H20N2S4Hg
  7919 Hg(II)S4 (HGETCB10)C10H20N2S4Hg
  7920 Hg(II)S4 (HGTHUR) (Geo)C4H8N6S4Hg
  7921 Hg(II)S4 (HGTHUR)C4H8N6S4Hg
  7922 Mercury chloride (Geo)ClHg
  7923 Mercury chlorideClHg
  7924 Methylmercuric chloride (Geo)CH3ClHg
  7925 Methylmercuric chlorideCH3ClHg
  7926 Ethylmercuric chloride C2H5ClHg
  7927 n-Propylmercuric chlorideC3H7ClHg
  7928 Hg(II)Cl2 (BITHIV10) (Geo)Cl2Hg
  7929 Hg(II)Cl2 (BITHIV10)Cl2Hg
  7930 Mercury dichloride (Geo)Cl2Hg
  7931 Mercury dichlorideCl2Hg
  7932 18-Crown-6-dichloro-mercury(II) (CESZOP) (Geo)C12H24O6Cl2Hg
  7933 Hg(II)P2Cl2 (CLTEHG) (Geo)C12H30P2Cl2Hg
  7934 Hg(II)Cl2S2 (CTSCHG) (Geo)C2H10N6S2Cl2Hg
  7935 Hg(II)Cl2S2 (CTSCHG)C2H10N6S2Cl2Hg
  7936 Hg(II)Cl3(-) (DOTLIH) (Geo)Cl3Hg


ΔHf: -15.0 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).
Dipole: 3.0 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
I.P.: 10.2 eV,     REF: V. N. Baidin, Y. V. Chizhov, N. M. Timoshenko, O. K. Sokolikova, Yu. K. Grishin, Yu. A. Ustynyuk, J. Struct. Chem. (Engl. Transl.) 22, 616 (1981).
  
 PM7
Ethylmercuric chloride
 H=-15.0 D=2.99 I=10.22 HR=WEPS1982 DR=MCC1974 IR=BCTS1981
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52447307 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09739782 +1  113.1211962 +1    0.0000000 +0     2     1     0
  H     1.09746140 +1  113.0635594 +1  122.5947755 +1     2     1     3
  H     1.10019143 +1  110.1075299 +1 -118.7323676 +1     2     1     3
  H     1.11058141 +1  109.4034565 +1   61.6034495 +1     1     2     3
  H     1.11062737 +1  109.3813150 +1  176.9543119 +1     1     2     3
 Hg     2.06836283 +1  114.0516267 +1  -60.7380212 +1     1     2     3
 Cl     2.29146457 +1  178.9737703 +1   -1.6846543 +1     8     1     2