Accuracy

t-butyl lithium    142 t-Butyl lithium

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    #  Species Formula
   132 trans-2-ButeneC4H8
   133 Isobutyl, cationC4H9
   134 IsobutylC4H9
   135 n-Butane (Geo)C4H10
   136 Isobutane (Geo)C4H10
   137 IsobutaneC4H10
   138 n-Butane, transC4H10
   139 t-butyl lithium (Geo)H9LiC4
   140 n-Butyl lithium (Geo)H9LiC4
   141 n-Butyl lithiumH9LiC4
   142 t-Butyl lithium H9LiC4
   143 DiethylberylliumH10BeC4
   144 C4B2H6C4H6B2
   145 Cyclopentadienyl, anionC5H5
   146 Cyclopentadiene (Geo)C5H6
   147 CyclopentadieneC5H6
   148 1,2-Dimethyl cyclopropeneC5H8
   149 1,4-PentadieneC5H8
   150 1,cis-3-PentadieneC5H8
   151 1,trans-3-PentadieneC5H8
   152 Bicyclo(2.1.0)-pentaneC5H8


ΔHf: 21.2 kcal/mol,     REF: M. Sana, G. Leroy, and C. Wilante, Organometallics, 10, 264 (1991)
Dipole: 6.3 Debye,     REF: E. Anders, R. Koch, and P. Freunscht, J. Comp. Chem., 14, 1301-1312 (1993).
  
 SYMMETRY PM7
t-Butyl lithium
 D=6.33 DR=AKF1993 H=21.2 HR=SLW1991
 
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.97274837 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.51248123 +1  106.8834957 +1    0.0000000 +0     2     1     0
  C     1.51248123 +0  106.8834957 +0  120.0000000 +0     2     1     3
  C     1.51248123 +0  106.8834957 +0 -120.0000000 +0     2     1     3
 XX     1.00000000 +0  131.1612414 +1    0.0000000 +0     3     2     1
 XX     1.00000000 +0  131.1612414 +0    0.0000000 +0     4     2     1
 XX     1.00000000 +0  131.1612414 +0    0.0000000 +0     5     2     1
  H     1.10164253 +1  110.6346581 +1  180.0000000 +0     3     2     1
  H     1.09482000 +1   54.2596164 +1   90.0000000 +0     3     6     2
  H     1.09482000 +0   54.2596164 +0  -90.0000000 +0     3     6     2
  H     1.10164253 +0  110.6346581 +0  180.0000000 +0     4     2     1
  H     1.09482000 +0   54.2596164 +0   90.0000000 +0     4     7     2
  H     1.09482000 +0   54.2596164 +0  -90.0000000 +0     4     7     2
  H     1.10164253 +0  110.6346581 +0  180.0000000 +0     5     2     1
  H     1.09482000 +0   54.2596164 +0   90.0000000 +0     5     8     2
  H     1.09482000 +0   54.2596164 +0  -90.0000000 +0     5     8     2
 
   3  1    4    5
   3  2    4    5
   6  2    7    8
   9  1   12   15
   9  2   12   15
  10  1   11   13   14   16   17
  10  2   11   13   14   16   17