Accuracy

tri-isobutylborane    326 Tri-isobutylborane

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    #  Species Formula
   316 Pentyl cyclohexaneC11H22
   317 UndecaneC11H24
   318 AcenaphthyleneC12H8
   319 BiphenyleneC12H8
   320 AcenaphtheneC12H10
   321 BiphenylC12H10
   322 Biphenyl, for torsion (Torsion angle) (Geo)C12H10
   323 HexamethylbenzeneC12H18
   324 HexylcyclohexaneC12H24
   325 n-DuodecaneC12H26
   326 Tri-isobutylborane H27BC12
   327 Tri-s-butylboraneH27BC12
   328 TributylboraneH27BC12
   329 FluoreneC13H10
   330 o-Methyl bipheny (Torsion angle) (Geo)C13H12
   331 Tri-t-butylmethaneC13H28
   332 TridecaneC13H28
   333 AnthraceneC14H10
   334 DiphenylethyneC14H10
   335 PhenanthreneC14H10
   336 9,10-Dihydro-phenanthreneC14H12


ΔHf: -67.0 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Tri-isobutylborane
 H=-67.0 HR=C&P1970
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.63908083 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53647999 +1  107.5636514 +1    0.0000000 +0     2     1     0
  C     1.53643095 +1  107.6697767 +1 -121.3697032 +1     2     1     3
  C     1.53940033 +1  118.2190030 +1  119.3348795 +1     2     1     3
  C     1.63896908 +1  120.0196024 +1 -119.3200185 +1     1     2     3
  C     1.53953991 +1  118.2434542 +1  179.9308459 +1     6     1     2
  C     1.53641210 +1  107.6077376 +1  -60.7110773 +1     6     1     2
  C     1.53645014 +1  107.5929417 +1   60.7053493 +1     6     1     2
  C     1.63907585 +1  119.9922665 +1   60.7568724 +1     1     2     3
  C     1.53951725 +1  118.2498087 +1   -0.0462378 +1    10     1     2
  C     1.53637150 +1  107.6444873 +1 -119.4020766 +1    10     1     2
  C     1.53636276 +1  107.5574845 +1  119.1791349 +1    10     1     2
  H     1.09734788 +1  110.7218586 +1  179.7278815 +1     3     2     1
  H     1.09586589 +1  111.4716471 +1   60.4891769 +1     3     2     1
  H     1.09510707 +1  113.4094966 +1  -61.0926139 +1     3     2     1
  H     1.09581561 +1  111.4697043 +1  -60.4281417 +1     4     2     1
  H     1.09736045 +1  110.7213362 +1 -179.6677749 +1     4     2     1
  H     1.09505566 +1  113.4361360 +1   61.1523763 +1     4     2     1
  H     1.09755805 +1  110.4942430 +1 -179.8757053 +1     5     2     1
  H     1.09602600 +1  112.4494961 +1   61.2688022 +1     5     2     1
  H     1.09606277 +1  112.4534588 +1  -61.0364032 +1     5     2     1
  H     1.09754453 +1  110.4993340 +1  179.8622924 +1     7     6     1
  H     1.09600626 +1  112.4595642 +1   61.0152094 +1     7     6     1
  H     1.09603330 +1  112.4589650 +1  -61.2845493 +1     7     6     1
  H     1.09506686 +1  113.4406529 +1   60.7576444 +1     8     6     1
  H     1.09580913 +1  111.4532723 +1  -60.8083979 +1     8     6     1
  H     1.09732615 +1  110.7154152 +1  179.9544057 +1     8     6     1
  H     1.09733678 +1  110.7176131 +1  179.5083597 +1     9     6     1
  H     1.09581249 +1  111.4737017 +1   60.2658075 +1     9     6     1
  H     1.09513240 +1  113.4076287 +1  -61.3309892 +1     9     6     1
  H     1.09753722 +1  110.4964820 +1 -179.9177766 +1    11    10     1
  H     1.09602574 +1  112.4505064 +1   61.2482695 +1    11    10     1
  H     1.09605930 +1  112.4582804 +1  -61.0590984 +1    11    10     1
  H     1.09504282 +1  113.4352511 +1  -60.8839205 +1    12    10     1
  H     1.09733957 +1  110.7088478 +1  179.9458206 +1    12    10     1
  H     1.09585502 +1  111.4601638 +1   60.6993401 +1    12    10     1
  H     1.09733980 +1  110.7252601 +1 -179.4414860 +1    13    10     1
  H     1.09512668 +1  113.4106634 +1   61.3979098 +1    13    10     1
  H     1.09581726 +1  111.4820271 +1  -60.1949822 +1    13    10     1