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CH3Br, 271109 Energy for CH3Br ->->-> CH3 + Br Energy for CH3Br ->->-> CH2 + H + Br

CH3Br, 271109 Energy for CH3Br ->->-> CH3 + Br Energy for CH3Br ->->-> CH2 + H + Br Energy for CH3Br ->->-> CH2 + HBr Energy for CH3Br ->->-> H2 +C(3P)+ HBr Energy for CH3Br ->->-> H2 +C(1D)+ HBr Energy for CH3Br ->->-> H2 +C(1S)+ HBr agust,www,...Nov09/PPT-271109ak.ppt. CH 3 Br(g).

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CH3Br, 271109 Energy for CH3Br ->->-> CH3 + Br Energy for CH3Br ->->-> CH2 + H + Br

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  1. CH3Br, 271109 • Energy for CH3Br ->->-> CH3 + Br • Energy for CH3Br ->->-> CH2 + H + Br • Energy for CH3Br ->->-> CH2 + HBr • Energy for CH3Br ->->-> H2 +C(3P)+ HBr • Energy for CH3Br ->->-> H2 +C(1D)+ HBr • Energy for CH3Br ->->-> H2 +C(1S)+ HBr • agust,www,...Nov09/PPT-271109ak.ppt

  2. CH3Br(g) 70.3 kcal mol-1 = +24587.8 cm-1 Handbook of bond energies: http://www3.hi.is/~agust/rannsoknir/rempi/ch3br/CH3-Br%20bond%20energy-070709ak.ppt CH3(g) + Br(g))

  3. x 349.755041 cm-1/ kcal mol-1 D(CH2-H) = 110.4 kcal mol-1 ----------> 38612.956 cm-1 3.758 eV = -30310.3= -D00(HBr)Huber and Herzberg: Constants of diatomic molecules

  4. 24587.8 + 38612.956 = 63200.756 (1) CH3Br(g) --------> CH3 + Br --------> CH2 + H + Br -30310.3 CH2 + HBr +32890.456 cm-1 (2)

  5. Summary: Energetics for CH3Br -> fragments:

  6. CH3Br -> CH + H2 + Br: CH3Br -> CH2 + H + Br: 63200.756 cm-1 (see above)

  7. 62184.36785 * CH3Br CH + H2 + Br: 63200.756 cm-1 CH2 + H + Br CH + H + H + Br - D(H2) = 104.206 (see above) - 36446.5738 cm-1 + 101.3 kcal mol-1 (see above) + 35430.18565 cm-1 x 349.755041 cm-1/ kcal mol-1 * = 63200.756+ 35430.18565 - 36446.5738

  8. CH3Br -> CH + H2 + Br: CH3Br -> CH2 + H + Br: 63200.756 cm-1 (see above)

  9. 90479.55067 cm-1 * CH3Br C+H + H2 + Br CH + H2 + Br +D(CH) = 80.9 kcal mol-1 (se above) +28295.18282 cm-1 x 349.755041 cm-1/ kcal mol-1 +62184.36785 * *= +62184.36785 +28295.18282

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