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

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 ± 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 : d

Abstraction of Halogen Atoms by Methyl Radicals J. Phys. Chem., 1966, 70 (5), pp 1579–1581 D. M. Tomkinson, H. O. Pritchard CF3Br -> CF3 + Br; D:

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:

Bond energy for CH3-Br = /- 0.5 kcal mol-1 See: bond energy ak.ppt bond energy ak.pp => Bond energy for CF3-Br = = ca kcal mol-1 (see above) x sbr: Bond energy CF3-Br = ca cm-1 Agust,heima,...CF3Br/Sept10/XLS ak.xls

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

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

: 35 Br Bromine (3) eV Blondel, C. and Cacciani, P. and Delsart, C. and Trainham, R., Phys. Rev. A 40, 3698 (1989) (3) eV cm-1 E(CF3+ + Br-) = = x Updated: Agust,heima,...CF3Br/Sept10/XLS ak.xls

R(CF 3 –Br) CF 3 + Br CF Br CF 3 Br(?) CF 3 Br + + e- CF Br- E/cm -1 ca cm cm cm cm -1 Agust,heima,...CF3Br/Sept10/PXP ak.pxp; Layout::0, Graph: 0, Table::0Updated: cm -1 (Semi) schematic energy figure: {CF 3 + Br - }? Ion-pair state?