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Reaction Dynamics in the C( 3 P) + C 2 H 2 (X 1 g + ) System. Ying Guo, Xibin Gu, Fangtong Zhang, Ralf I. Kaiser Department of Chemistry University of Hawai’i Honolulu, HI 96822 kaiser@gold.chem.hawaii.edu http://www.chem.hawaii.edu/Bil301/welcome.html. Introduction.
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Reaction Dynamics in the C(3P) + C2H2(X1g+) System Ying Guo, Xibin Gu, Fangtong Zhang, Ralf I. Kaiser Department of Chemistry University of Hawai’i Honolulu, HI 96822 kaiser@gold.chem.hawaii.edu http://www.chem.hawaii.edu/Bil301/welcome.html
Introduction Science, 274, 1508 (1996) 8.8, 28, 45 kJmol-1 c-C3H(X2B2) l-C3H(X2)
Introduction relative energy, kJmol-1 l-C3(X1g+) + H2(X1g+) RG = - 124 kJmol-1
Introduction Faraday Discussions 119, 27 (2001) Faraday Discussions 119, 51 (2001) l-C3(X1g+) + H2(X1g+) Mebel et al. JACS 120, 5751 (1998) C3 formation via ISC
Introduction relative energy, kJmol-1
Open Questions relative energy, kJmol-1
m/z 37 36 39 38 38 36 38 37 36
C(3P) + C2D2(X1g+) c-C3D(X2B2) + D(2S) RG = - 2 kJmol-1 l-C3D(X2) + D(2S) RG = + 8 kJmol-1 l-C3(X1g+) + D2(X1g+) RG = - 126 kJmol-1 c-C3(X3A2’) + D2(X1g+) RG = - 43 kJmol-1 Ochsenfeld et al. JCP 106, 4141 (1997) Mebel et al. CPL 360, 139 (2002)
m/z 37 36 39 38 38 36 38 37 36
C(3P) + C2H2 (8 kJmol-1; m/z = 37) C3H C4H (usec)
C(3P) + C2H2 (8 kJmol-1; m/z = 36) C3H C4H C3(R) C3(E) (usec)
C(3P) + C2H2 (20.4 kJmol-1; m/z = 37) C3H C4H (usec)
C(3P) + C2H2 (20.4 kJmol-1; m/z = 36) C3H C3H C4H C4H C3(R) C3(E) (usec)
C(3P) + C2H2 (30.7 kJmol-1; m/z = 37) C3H C4H (usec)
C(3P) + C2H2 (30.7 kJmol-1; m/z = 36) C3H C3H C4H C4H C3(R) C3(E) (usec)
C(3P) + C2H2 C3(R) C3H C4H C3(E) m/z = 37 m/z = 36
C(3P) + 13C2H2 C3(R) C3H C4H l-C3(X1g+) + H2(X1g+) m/z = 39 m/z = 38
C(3P) + C2H2/13C2H2 C3H//13C2CH C(3P) H 13C2C C(3P) H2
m/z 37 36 39 38 38 36 38 37 36
Ionization Potentials of C3H Isomers Chemical Dynamics Beamline Advanced Light Source C2H2 C3H L. Belau, S. Leone, M. Ahmed, R.I. Kaiser
C6H2 C3H C4H2 C4H
Ionization Potentials IP(l-C3H) = 9.06 eV IP(c-C3H) = 9.66 eV 0.1 eV B. Braams J. Bowman Experiments* IP(l-C3H) = 9.1 eV IP(c-C3H) = 9.6 eV 0.1 eV *L. Belau S. Leone M. Ahmed R.I. Kaiser
Acknowledgements L. Belau S. Leone M. Ahmed B. Braams J. Bowman Y. Guo, F. Zhang, X. Gu