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

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Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

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

kaiser@gold.chem.hawaii.edu

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


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

Introduction

Science, 274, 1508 (1996)

8.8, 28, 45 kJmol-1

c-C3H(X2B2)

l-C3H(X2)


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

Introduction

relative energy, kJmol-1

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


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

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


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

Introduction

relative energy, kJmol-1


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

Open Questions

relative energy, kJmol-1


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

m/z

37

36

39

38

38

36

38

37

36


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

13


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

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)


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

m/z

37

36

39

38

38

36

38

37

36


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

Crossed Molecular Beams Setup


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

C(3P) + C2H2 (8 kJmol-1; m/z = 37)

C3H

C4H

(usec)


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

C(3P) + C2H2 (8 kJmol-1; m/z = 36)

C3H

C4H

C3(R)

C3(E)

(usec)


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

C(3P) + C2H2 (20.4 kJmol-1; m/z = 37)

C3H

C4H

(usec)


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

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

C3H

C3H

C4H

C4H

C3(R)

C3(E)

(usec)


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

C(3P) + C2H2 (30.7 kJmol-1; m/z = 37)

C3H

C4H

(usec)


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

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

C3H

C3H

C4H

C4H

C3(R)

C3(E)

(usec)


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

C(3P) + C2H2

C3(R)

C3H

C4H

C3(E)

m/z = 37

m/z = 36


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

C(3P) + 13C2H2


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

C(3P) + 13C2H2

C3(R)

C3H

C4H

l-C3(X1g+) + H2(X1g+)

m/z = 39

m/z = 38


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

C(3P) + C2H2/13C2H2

C3H//13C2CH

C(3P)  H

13C2C

C(3P)  H2


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

C(3P) + C2H2/13C2H2


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

Summary


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

m/z

37

36

39

38

38

36

38

37

36


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

Ionization Potentials of C3H Isomers

Chemical Dynamics Beamline

Advanced Light Source

C2H2

C3H

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


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

C6H2

C3H

C4H2

C4H


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

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


Ying guo xibin gu fangtong zhang ralf i kaiser department of chemistry university of hawai i

Acknowledgements

L. Belau

S. Leone

M. Ahmed

B. Braams

J. Bowman

Y. Guo, F. Zhang, X. Gu


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