Methane, dibromo-

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Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
B - John E. Bartmess
MS - José A. Martinho Simões

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Individual Reactions

CHBr2- + Hydrogen cation = Methane, dibromo-

By formula: CHBr2- + H+ = CH2Br2

Quantity Value Units Method Reference Comment
Δr1544. ± 13.kJ/molG+TSBorn, Ingemann, et al., 2000gas phase; B
Quantity Value Units Method Reference Comment
Δr1512. ± 13.kJ/molIMRBBorn, Ingemann, et al., 2000gas phase; B

C14H21MnO2 (solution) + Methane, dibromo- (solution) = C8H7Br2MnO2 (solution) + Heptane (solution)

By formula: C14H21MnO2 (solution) + CH2Br2 (solution) = C8H7Br2MnO2 (solution) + C7H16 (solution)

Quantity Value Units Method Reference Comment
Δr-51.0 ± 5.0kJ/molPACYang and Yang, 1992solvent: Heptane; MS

Vibrational and/or electronic energy levels

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Takehiko Shimanouchi

Symmetry:   C     Symmetry Number σ = 2


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 CH2 s-str 3009  C 3009 W gas 3008 gas
a1 2 CH2 scis 1382  C 1382 VW gas 1402 gas
a1 3 CBr2 s-str 588  C 588 M gas 584 gas
a1 4 CBr2 scis 169  C 169 gas
a2 5 CH2 twist 1095  D  ia 1095 liq.
b1 6 CH2 a-str 3073  B 3073 VW gas 3064 liq.
b1 7 CH2 rock 812  B 812 M gas 813 liq.
b2 8 CH2 wag 1195  B 1195 VS gas 1195 liq.
b2 9 CBr a-str 653  B 653 VS gas 640 gas

Source: Shimanouchi, 1972

Notes

VSVery strong
MMedium
WWeak
VWVery weak
iaInactive
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Born, Ingemann, et al., 2000
Born, M.; Ingemann, S.; Nibbering, N.M.M., Thermochemical properties of halogen-substituted methanes, methyl radicals, and carbenes in the gas phase, Int. J. Mass Spectrom., 2000, 194, 2-3, 103-113, https://doi.org/10.1016/S1387-3806(99)00125-6 . [all data]

Yang and Yang, 1992
Yang, P.-F.; Yang, K.G., J. Am. Chem. Soc., 1992, 114, 6937. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]


Notes

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