Accuracy

trimethyllead chloride   8120 Trimethyllead chloride

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    #  Species Formula
  8110 Pb(II)N2S2 (XUSSUZ) (Geo)C4H12N2S2Pb
  8111 Pb(II)N2S2 (XUSSUZ)C4H12N2S2Pb
  8112 Pb(II)S4 (IPTCPB) (Geo)C14H28N2S4Pb
  8113 Pb(II)S4 (IPTCPB)C14H28N2S4Pb
  8114 Pb(II)S4(2-) (KAJMUD) (Geo)C8N4S4Pb
  8115 Pb(II)S4(2-) (KAJMUD)C8N4S4Pb
  8116 Pb(II)O2N2 (ICLMSX) (Geo)C6H12N2O2S4Pb
  8117 Pb(II)O2N2 (ICLMSX)C6H12N2O2S4Pb
  8118 Lead chloride, cationClPb
  8119 Lead chlorideClPb
  8120 Trimethyllead chloride C3H9ClPb
  8121 Lead dichloride, cationCl2Pb
  8122 Lead dichlorideCl2Pb
  8123 Lead dichloride (Geo)Cl2Pb
  8124 18-Crown-6-dichloro-lead(II) (NOMJUV) (Geo)C12H24O6Cl2Pb
  8125 Pb(IV)Cl2.2(H2S)H4S2Cl2Pb
  8126 Pb(IV)Cl2.2(H2S) (Geo)H4S2Cl2Pb
  8127 Lead tetrachlorideCl4Pb
  8128 Lead tetrachloride (Geo)Cl4Pb
  8129 Pb(IV)Cl5C(2-) (FEBGOI01) (Geo)C6H5Cl5Pb
  8130 Pb(IV)Cl5C(2-) (FEBGOI01)C6H5Cl5Pb


ΔHf: -1.9 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.
Dipole: 4.5 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Freeman, San Francisco, 1963.
  
 SYMMETRY PM7
Trimethyllead chloride
 D=4.5 DR=MCC1963 H=-1.9 HR=PW91D
 
 Cl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Pb     2.37594214 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.10419954 +1   99.6085753 +1    0.0000000 +0     2     1     0
  C     2.10419954 +0   99.6085753 +0  120.0683932 +1     2     1     3
  C     2.10419954 +0   99.6085753 +0 -120.0241421 +1     2     1     3
 XX     1.00000000 +0  127.2119980 +0   -1.9477343 +1     3     2     1
 XX     1.00000000 +0  127.2119980 +0    8.4674797 +1     4     2     1
 XX     1.00000000 +0  127.2119980 +0   -5.4363474 +1     5     2     1
  H     1.08865537 +1  109.0012411 +1  179.3624526 +1     3     2     1
  H     1.08865537 +0   53.8938125 +1   86.4422891 +1     3     6     2
  H     1.08865537 +0   55.9407494 +1  -88.1193372 +1     3     6     2
  H     1.08865537 +0  108.9958444 +1  179.8749762 +1     4     2     1
  H     1.08865537 +0   61.5859733 +1   92.5536082 +1     4     7     2
  H     1.08865537 +0   48.2829509 +1  -81.4303049 +1     4     7     2
  H     1.08865537 +0  108.9985986 +1  179.5189446 +1     5     2     1
  H     1.08865537 +0   51.0741491 +1   84.0079547 +1     5     8     2
  H     1.08865537 +0   58.7680796 +1  -90.3864841 +1     5     8     2
 
   3  1    4    5
   3  2    4    5
   9  1   10   11   12   13   14   15   16   17