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

ethylmercuric chloride   7927 Ethylmercuric chloride

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  7917 Hg(II)S2 (AQONOJ) (Geo)C4H6O4S2Hg
  7918 Hg(II)S2 (AQONOJ)C4H6O4S2Hg
  7919 Hg(II)S4 (HGETCB10) (Geo)C10H20N2S4Hg
  7920 Hg(II)S4 (HGETCB10)C10H20N2S4Hg
  7921 Hg(II)S4 (HGTHUR) (Geo)C4H8N6S4Hg
  7922 Hg(II)S4 (HGTHUR)C4H8N6S4Hg
  7923 Mercury chloride (Geo)ClHg
  7924 Mercury chlorideClHg
  7925 Methylmercuric chloride (Geo)CH3ClHg
  7926 Methylmercuric chlorideCH3ClHg
  7927 Ethylmercuric chloride C2H5ClHg
  7928 n-Propylmercuric chlorideC3H7ClHg
  7929 Hg(II)Cl2 (BITHIV10) (Geo)Cl2Hg
  7930 Hg(II)Cl2 (BITHIV10)Cl2Hg
  7931 Mercury dichloride (Geo)Cl2Hg
  7932 Mercury dichlorideCl2Hg
  7933 18-Crown-6-dichloro-mercury(II) (CESZOP) (Geo)C12H24O6Cl2Hg
  7934 Hg(II)P2Cl2 (CLTEHG) (Geo)C12H30P2Cl2Hg
  7935 Hg(II)Cl2S2 (CTSCHG) (Geo)C2H10N6S2Cl2Hg
  7936 Hg(II)Cl2S2 (CTSCHG)C2H10N6S2Cl2Hg
  7937 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