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

CH3Br(g) CH3(g) + Br(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))

D(CH2-H) = 110.4 kcal mol-1 ----------> 38612.956 cm-1 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

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

Energetics for CH3Br -> fragments: Summary: Energetics for CH3Br -> fragments: Fragments: Value / cm-1 Refs: CH3 + Br 24587.8 cm-1 Handbook of bond energies: http://www3.hi.is/~agust/rannsoknir/rempi/ch3br/CH3-Br%20bond%20energy-070709ak.ppt CH2 + H + Br 63200.756 cm-1 PPT-271109ak.ppt CH2 + HBr 32890.456 cm-1 H2 + C + HBr 62109 cm-1 PPT-031109ak.ppt 59329 cm-1 PPT-151109ak.ppt evaluated by AK 58840 From A.B. / e-mail 041109 and later H2 + C*(1D) + HBr 72301.63 62109 (see above) + 10 192.63 (http://physics.nist.gov/cgi-bin/ASD/energy1.pl) 69521.63 59329 (see above) + 10 192.63 (http://physics.nist.gov/cgi-bin/ASD/energy1.pl) 69032.63 58840 (see above) + 10 192.63 (http://physics.nist.gov/cgi-bin/ASD/energy1.pl)

Fragments: Value / cm-1 Refs: H2 + C**(1S) + HBr 83757.01 62109 (see above) + 21648.01 (http://physics.nist.gov/cgi-bin/ASD/energy1.pl) 80977.01 59329 (see above) + 21648.01(http://physics.nist.gov/cgi-bin/ASD/energy1.pl) 80488.01 58840 (see above) + 21648.01(http://physics.nist.gov/cgi-bin/ASD/energy1.pl) CH + H2 + Br 62184.36785 See below, slide 8 C+ H + H2 + Br 70479.55067 See below, slide 10

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

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

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

+D(CH) = 80.9 kcal mol-1 (se above) 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