1. CF3Br Literature survey on energetics: agust,www,....cf3br/PPT-090910ak.ppt Updated: 12.09.10; 13:35 o´clock

2. Ionization Energy of CF 3 Deduced from Photoionization of Jet-Cooled CF 3 Br J. Phys. Chem. A, 2001, 105 (36), pp 8296–8301 …From the corrected 0 K CF 3 + appearance energy of 12.07 ± 0.02 eV, we calculate the adiabatic CF 3 ionization energy to be 9.04 ± 0.04 eV, a value in excellent agreement with recent calculations and a number of experiments. … CF3 -> CF3 + + e-; IP : http://pubs.acs.org/doi/abs/10.1021/jp011008 d

3. Abstraction of Halogen Atoms by Methyl Radicals http://pubs.acs.org/doi/abs/10.1021/j100877a 039 J. Phys. Chem., 1966, 70 (5), pp 1579–1581 D. M. Tomkinson, H. O. Pritchard CF3Br -> CF3 + Br; D:

4. Quantitative relationship between bond dissociation energies, infrared stretching frequencies, and force constants in polyatomic molecules Andreas A. Zavitsas J. Phys. Chem., 1987, 91 (22), pp 5573–5577 C – Br D:

5. Bond energy for CH3-Br = 70.3 +/- 0.5 kcal mol-1 See: http://www3.hi.is/~agust/rannsoknir/rempi/ch3br/CH3-Br bond energy-070709ak.ppt http://www3.hi.is/~agust/rannsoknir/rempi/ch3br/CH3-Br bond energy-070709ak.pp => Bond energy for CF3-Br = 70.3 + 4 = ca. 74.3 kcal mol-1 (see above) x 349.755041 sbr: http://www3.hi.is/~agust/kennsla/ee04/ee404/toflur/e4pr5.JPG Bond energy CF3-Br = ca. 25986.80 cm-1 Agust,heima,...CF3Br/Sept10/XLS-120910ak.xls

6. 0 Ca. 25986.80 cm-1 CF 3 + Br CF 3 + + Br 9.04 ± 0.04 eV 72912.48 cm-1= 2 x 36456.25 cm-1 72912.48 + 25986.80 cm-1 = 98899.28 cm-1 CF 3 Br CF 3 Br + + e- 91980 cm-1 (NIST) Energy / cm-1 Semi schematic figure: Updated: 12.09.10 71770.11 cm-1 CF 3 + + Br- Agust,heima,...CF3Br/Sept10/XLS-120910ak.xls

7. Comment: 1) Judging from this only 4 hv are needed in the excitation region near 2hv = 83000 cm-1 (41500 cm- 1= 1 hv) to form CF3+ as, 2hv + CF3Br ->-> CF3Br** CF3Br** -> CF3 + Br CF3 + 2hv -> CF3+ + e- Updated:: 11.09.10; 13:35 o´clock

8. http://en.wikipedia.org/wiki/Electron_affinity_(data_page)http://en.wikipedia.org/wiki/Electron_affinity_(data_page) : 35 Br Bromine 3.363590(3) eV Blondel, C. and Cacciani, P. and Delsart, C. and Trainham, R., Phys. Rev. A 40, 3698 (1989) 3.363590(3) eV 27129.17 cm-1 E(CF3+ + Br-) = 25986.80 + 72912.48 - 27129.17 = 71770.11 x 8065.54093 Updated: 12.09.10 Agust,heima,...CF3Br/Sept10/XLS-120910ak.xls

9. R(CF 3 –Br) CF 3 + Br CF 3 + + Br CF 3 Br(?) CF 3 Br + + e- CF 3 + + Br- E/cm -1 ca. 25 986.80 cm -1 98 899.28 cm -1 91980 cm -1 71 770.11 cm -1 Agust,heima,...CF3Br/Sept10/PXP-120910ak.pxp; Layout::0, Graph: 0, Table::0Updated: 12.09.10 80 000 cm -1 (Semi) schematic energy figure: {CF 3 + Br - }? Ion-pair state?