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

calcium diiodide   6044 Calcium diiodide

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  6034 Magnesium diiodideMgI2
  6035 Magnesium diiodide (Geo)MgI2
  6036 Al(III)C2I2(-) (CSIMAL) (Geo)C2H6AlI2
  6037 Al(III)C2I2(-) (CSIMAL)C2H6AlI2
  6038 Silicon diiodideSiI2
  6039 DiiodosilaneH2SiI2
  6040 C2PI (GUTJOU) (Geo)C10H6P2I2
  6041 Potassium iodide, dimer (Geo)K2I2
  6042 Potassium iodide, dimerK2I2
  6043 Calcium diiodide (Geo)CaI2
  6044 Calcium diiodide CaI2
  6045 Ca(II)N4I2 (TAQQEH) (Geo)C20H16N4CaI2
  6046 Ca(II)N4I2 (TAQQEH)C20H16N4CaI2
  6047 Ca(II)N5I2 (TANQOO) (Geo)C10H15N5CaI2
  6048 Ca(II)N5I2 (TANQOO)C10H15N5CaI2
  6049 Titanium diiodideTiI2
  6050 Ti(III)I2N4(+) (KADVIU) (Geo)C8H12N4TiI2
  6051 Titanium(IV) oxide diiodide (Geo)OTiI2
  6052 Titanium(IV) oxide diiodideOTiI2
  6053 Cr(III)CpI2 (Geo)C5H5CrI2
  6054 Cr(III)CpI2C5H5CrI2


ΔHf: -61.7 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
I.P.: 10.1 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 PM7
Calcium diiodide
 H=-61.7 HR=NIST I=10.1 IR=LLNBS82
 Ca     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.73365767 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.73365768 +1  179.9936994 +1    0.0000000 +0     1     2     0