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Ying Guo, Xibin Gu, Fangtong Zhang, Ralf I. Kaiser Department of Chemistry University of Hawai’i - PowerPoint PPT Presentation


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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 [email protected] http://www.chem.hawaii.edu/Bil301/welcome.html. Introduction.

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slide1
Reaction Dynamics in the C(3P) + C2H2(X1g+) System

Ying Guo, Xibin Gu, Fangtong Zhang, Ralf I. Kaiser

Department of Chemistry

University of Hawai’i

Honolulu, HI 96822

[email protected]

http://www.chem.hawaii.edu/Bil301/welcome.html

slide2
Introduction

Science, 274, 1508 (1996)

8.8, 28, 45 kJmol-1

c-C3H(X2B2)

l-C3H(X2)

slide3
Introduction

relative energy, kJmol-1

l-C3(X1g+) + H2(X1g+) RG = - 124 kJmol-1

slide4
Introduction

Faraday Discussions 119, 27 (2001)

Faraday Discussions 119, 51 (2001)

l-C3(X1g+) + H2(X1g+)

Mebel et al. JACS 120, 5751 (1998)

 C3 formation via ISC

slide5
Introduction

relative energy, kJmol-1

slide6
Open Questions

relative energy, kJmol-1

slide7
m/z

37

36

39

38

38

36

38

37

36

slide10
C(3P) + C2D2(X1g+)

c-C3D(X2B2) + D(2S) RG = - 2 kJmol-1

l-C3D(X2) + D(2S) RG = + 8 kJmol-1

l-C3(X1g+) + D2(X1g+) RG = - 126 kJmol-1

c-C3(X3A2’) + D2(X1g+) RG = - 43 kJmol-1

Ochsenfeld et al. JCP 106, 4141 (1997)

Mebel et al. CPL 360, 139 (2002)

slide11
m/z

37

36

39

38

38

36

38

37

36

slide17
C(3P) + C2H2 (20.4 kJmol-1; m/z = 36)

C3H

C3H

C4H

C4H

C3(R)

C3(E)

(usec)

slide19
C(3P) + C2H2 (30.7 kJmol-1; m/z = 36)

C3H

C3H

C4H

C4H

C3(R)

C3(E)

(usec)

slide20
C(3P) + C2H2

C3(R)

C3H

C4H

C3(E)

m/z = 37

m/z = 36

slide22
C(3P) + 13C2H2

C3(R)

C3H

C4H

l-C3(X1g+) + H2(X1g+)

m/z = 39

m/z = 38

slide23
C(3P) + C2H2/13C2H2

C3H//13C2CH

C(3P)  H

13C2C

C(3P)  H2

slide26
m/z

37

36

39

38

38

36

38

37

36

slide27
Ionization Potentials of C3H Isomers

Chemical Dynamics Beamline

Advanced Light Source

C2H2

C3H

L. Belau, S. Leone, M. Ahmed, R.I. Kaiser

slide28
C6H2

C3H

C4H2

C4H

slide29
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

slide30
Acknowledgements

L. Belau

S. Leone

M. Ahmed

B. Braams

J. Bowman

Y. Guo, F. Zhang, X. Gu

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