1. 1 CH3Br, 230310 Energetics for CH2+ and CH+ formations agust,www,...Mars10/PPT-230310ak.ppt

2. 2 CH 2 + formation? Methylene CH2 Chemical structure: 1) CH2 -> CH2+ + e-: QuantityValueUnitsMethodReferenceComment IE (evaluated)10.396 ± 0.003eVN/AN/AL http://webbook.nist.gov/cgi/cbook.cgi?ID=C2465567&Units=SI&Mask=20#Ion-Energeticshttp://webbook.nist.gov/cgi/cbook.cgi?ID=C2465567&Units=SI&Mask=20#Ion-Energetics : 83849.36 cm-1

3. 3 2)CH3 + -> CH2+ + H: Methyl cation (CH3+) CH3 CH3+ + e- CH2 + H CH2+ + e- + H x IE(CH2) = 83849.36 cm-1 (see above) IE(CH3) = 79364.91 cm-1 DE(CH3) = 38612.956 cm-1 See: http://www3.hi.is/~agust/rannsoknir/rempi/ch3br/Nov09/PPT-271109ak.ppt http://www3.hi.is/~agust/rannsoknir/rempi/ch3br/Nov09/PPT-271109ak.ppt QuantityValueUnitsMethodReferenceComment IE (evaluated)9.84 ± 0.01eVN/AN/AL x 8065.54 http://webbook.nist.gov/cgi/cbook.cgi?ID=C2229074&Units=SI&Mask=20#Ion-Energetics X= 83849.36+ 38612.956- 79364.91 = 43097.406 cm-1

4. 4 CH+ formation: CH: Methylidyne (CH) 1) CH -> CH+ + e- QuantityValueUnitsMethodReferenceComment IE (evaluated)10.64 ± 0.01eVN/AN/AL http://webbook.nist.gov/cgi/cbook.cgi?ID=C3315375&Units=SI&Mask=20#Ion-Energeticshttp://webbook.nist.gov/cgi/cbook.cgi?ID=C3315375&Units=SI&Mask=20#Ion-Energetics: x 8065.54 85817,34 cm-1

5. 5 2) CH3+ -> CH+ + H + H CH3+ -> CH+ + H2 CH3 CH3+ CH2 + H CH + H + H CH+ + H + H CH+ + H2 IE(CH3) = 79364.91 cm-1 See above) DE(CH3) = 38612.956 cm-1 See above DE(CH2) = 35430.18565 cm-1 http://www3.hi.is/~agust/rannsoknir/rempi/ch3br/Nov09/PPT-271109ak.ppt 85817.34 cm-1 See above x DE(H2)= 36446.5738 cm-1 http://www3.hi.is/~agust/rannsoknir/rempi/ch3br/Nov09/PPT-271109ak.ppt x = 38612.956+ 35430.18565+ 85817.34- 36446.5738- 79364.91 = 44048.99785 cm-1 CH3+ -> CH+ + H + H; 44048.99785+ 36446.5738 = 80495.57165 cm-1 CH3+ -> CH+ + H2; 44048.99785 cm-1

6. 6 Summary: cm-1 CH2 -> CH2+ + e-83849.36 CH3 + -> CH2+ + H:43097.406 CH -> CH+ + e-85817,34 CH3+ -> CH+ + H + H80495.57165 CH3+ -> CH+ + H244048.99785