1 / 10

Energetics of CH3Br Fragmentation Process: Experimental Data and Analysis

Explore the energy distribution in the fragmentation of CH3Br to CH3, CH2, H, and Br, based on spectroscopic data and calculations. Learn about bond energies and molecular constants in specific energy pathways.

jakem
Download Presentation

Energetics of CH3Br Fragmentation Process: Experimental Data and Analysis

An Image/Link below is provided (as is) to download presentation Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author. Content is provided to you AS IS for your information and personal use only. Download presentation by click this link. While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server. During download, if you can't get a presentation, the file might be deleted by the publisher.

E N D

Presentation Transcript

  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

More Related