3b Diazomethane plus acetylene TS     20 3b Diazomethane plus acetylene TS

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    #  Species Formula
    10 hc3 - Dimethylene to cyclobuta - benzene TSC8H8
    11 hc10 - Cyclonona-1,4,7-triene TSC9H12
    12 hc9 - Two cyclopentadiene TSC10H12
    13 hc11 - Cycloduodeca-1,5,9-triene TSC12H18
    14 HCN - HNC TSHCN
    15 6b Formonitrile Ylide plus acetylene TSC4H5N
    16 6a Formonitrile Ylide plus ethylene TSC4H7N
    17 9b Formoazomethine Ylide plus acetylene TSC4H7N
    18 9a Formoazomethine Ylide plus ethylene TSC4H9N
    19 H plus N2 - HN2 TSHN2
    20 3b Diazomethane plus acetylene TS C3H4N2
    21 5b Formonitrile imine plus acetylene TSC3H4N2
    22 3a Diazomethane plus ethylene TSC3H6N2
    23 5a Formonitrile imine plus ethylene TSC3H6N2
    24 8b Formoazomethine imine plus acetylene TSC3H6N2
    25 8a Formoazomethine imine plus ethylene TSC3H8N2
    26 2b Hydrazoic acid plus acetylene TSC2H3N3
    27 2a Hydrazoic acid plus ethylene TSC2H5N3
    28 H plus CO - HCO TSHCO
    29 OH plus CH4 - H2O plus CH3 TSCH5O
    30 4b Fulminic acid plus acetylene TSC3H3NO


ΔHf: 15.2 kcal/mol,     REF: Ess, D. H., Houk, K. N., Activation Energies of Pericyclic Reactions ... J. Phys. Chem. A 109 9542-9553 2005
  

      3b Diazomethane plus acetylene TS
      h=15.2+"3b Diazomethane plus acetylene" hr=eh2005
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.23880000  1    0.0000000  0    0.0000000  0     1     0     0
  N     2.11074000  1  103.9822590  1    0.0000000  0     1     2     0
  N     1.16327000  1   98.9789630  1    0.1346360  1     3     1     2
  C     1.34397400  1  137.0735450  1   -0.0450580  1     4     3     1
  H     1.03533700  1  166.6357650  1 -179.5211500  1     1     2     3
  H     1.03424500  1  161.9416900  1  179.9285140  1     2     1     3
  H     1.08444800  1  118.8096740  1 -105.8855830  1     5     4     3
  H     1.08455200  1  118.7908860  1 -148.3151410  1     5     4     8