Reaction dynamics of C(3P) with chloroform

Jong-Ho Choi, M. R. Scholefield, D. Kolosov, H. Reisler

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

The reaction of carbon(3P) with chloroform (CHCl3) was studied in a crossed-beam configuration. C(3P) was produced by laser ablation of graphite, and its translational energy was varied by seeding in carrier gases to investigate the reaction mechanism in two center-of-mass energy regimes: a low-energy regime of 3.2 and 5.3 kcal/mol and a high-energy regime peaked at 85 kcal/mol. The CCl reaction product was probed by laser-induced fluorescence via the A2Δ ← X2II (Δυ = O) transition. In the low-energy regime, CCl was observed to be highly rotationally excited (Trot = 1500-1800 K), and the first excited vibrational level was significantly populated. Good agreement was obtained between the experimental results and statistical estimations based on prior calculations, suggesting that the reaction proceeds through an insertion complex and that the exit channel does not exhibit distinct dynamical biases. In the high-energy regime, however, the reaction pathway is believed to involve a short-lived complex that preferably samples reactants from the broad center-of-mass energy distribution with lower collision energy components. Contributions from an abstraction mechanism cannot be ruled out.

Original languageEnglish
Pages (from-to)5846-5851
Number of pages6
JournalJournal of Physical Chemistry A
Volume101
Issue number33
Publication statusPublished - 1997 Aug 14

Fingerprint

Graphite
Laser Therapy
Laser ablation
Chloroform
chloroform
Reaction products
varespladib methyl
Lasers
Carbon
Fluorescence
Gases
energy
center of mass
inoculation
reaction products
laser induced fluorescence
laser ablation
insertion
energy distribution
graphite

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Choi, J-H., Scholefield, M. R., Kolosov, D., & Reisler, H. (1997). Reaction dynamics of C(3P) with chloroform. Journal of Physical Chemistry A, 101(33), 5846-5851.

Reaction dynamics of C(3P) with chloroform. / Choi, Jong-Ho; Scholefield, M. R.; Kolosov, D.; Reisler, H.

In: Journal of Physical Chemistry A, Vol. 101, No. 33, 14.08.1997, p. 5846-5851.

Research output: Contribution to journalArticle

Choi, J-H, Scholefield, MR, Kolosov, D & Reisler, H 1997, 'Reaction dynamics of C(3P) with chloroform', Journal of Physical Chemistry A, vol. 101, no. 33, pp. 5846-5851.
Choi J-H, Scholefield MR, Kolosov D, Reisler H. Reaction dynamics of C(3P) with chloroform. Journal of Physical Chemistry A. 1997 Aug 14;101(33):5846-5851.
Choi, Jong-Ho ; Scholefield, M. R. ; Kolosov, D. ; Reisler, H. / Reaction dynamics of C(3P) with chloroform. In: Journal of Physical Chemistry A. 1997 ; Vol. 101, No. 33. pp. 5846-5851.
@article{3ee8b8e5ebde49e98cc8d693f5b1f8a7,
title = "Reaction dynamics of C(3P) with chloroform",
abstract = "The reaction of carbon(3P) with chloroform (CHCl3) was studied in a crossed-beam configuration. C(3P) was produced by laser ablation of graphite, and its translational energy was varied by seeding in carrier gases to investigate the reaction mechanism in two center-of-mass energy regimes: a low-energy regime of 3.2 and 5.3 kcal/mol and a high-energy regime peaked at 85 kcal/mol. The CCl reaction product was probed by laser-induced fluorescence via the A2Δ ← X2II (Δυ = O) transition. In the low-energy regime, CCl was observed to be highly rotationally excited (Trot = 1500-1800 K), and the first excited vibrational level was significantly populated. Good agreement was obtained between the experimental results and statistical estimations based on prior calculations, suggesting that the reaction proceeds through an insertion complex and that the exit channel does not exhibit distinct dynamical biases. In the high-energy regime, however, the reaction pathway is believed to involve a short-lived complex that preferably samples reactants from the broad center-of-mass energy distribution with lower collision energy components. Contributions from an abstraction mechanism cannot be ruled out.",
author = "Jong-Ho Choi and Scholefield, {M. R.} and D. Kolosov and H. Reisler",
year = "1997",
month = "8",
day = "14",
language = "English",
volume = "101",
pages = "5846--5851",
journal = "Journal of Physical Chemistry A",
issn = "1089-5639",
publisher = "American Chemical Society",
number = "33",

}

TY - JOUR

T1 - Reaction dynamics of C(3P) with chloroform

AU - Choi, Jong-Ho

AU - Scholefield, M. R.

AU - Kolosov, D.

AU - Reisler, H.

PY - 1997/8/14

Y1 - 1997/8/14

N2 - The reaction of carbon(3P) with chloroform (CHCl3) was studied in a crossed-beam configuration. C(3P) was produced by laser ablation of graphite, and its translational energy was varied by seeding in carrier gases to investigate the reaction mechanism in two center-of-mass energy regimes: a low-energy regime of 3.2 and 5.3 kcal/mol and a high-energy regime peaked at 85 kcal/mol. The CCl reaction product was probed by laser-induced fluorescence via the A2Δ ← X2II (Δυ = O) transition. In the low-energy regime, CCl was observed to be highly rotationally excited (Trot = 1500-1800 K), and the first excited vibrational level was significantly populated. Good agreement was obtained between the experimental results and statistical estimations based on prior calculations, suggesting that the reaction proceeds through an insertion complex and that the exit channel does not exhibit distinct dynamical biases. In the high-energy regime, however, the reaction pathway is believed to involve a short-lived complex that preferably samples reactants from the broad center-of-mass energy distribution with lower collision energy components. Contributions from an abstraction mechanism cannot be ruled out.

AB - The reaction of carbon(3P) with chloroform (CHCl3) was studied in a crossed-beam configuration. C(3P) was produced by laser ablation of graphite, and its translational energy was varied by seeding in carrier gases to investigate the reaction mechanism in two center-of-mass energy regimes: a low-energy regime of 3.2 and 5.3 kcal/mol and a high-energy regime peaked at 85 kcal/mol. The CCl reaction product was probed by laser-induced fluorescence via the A2Δ ← X2II (Δυ = O) transition. In the low-energy regime, CCl was observed to be highly rotationally excited (Trot = 1500-1800 K), and the first excited vibrational level was significantly populated. Good agreement was obtained between the experimental results and statistical estimations based on prior calculations, suggesting that the reaction proceeds through an insertion complex and that the exit channel does not exhibit distinct dynamical biases. In the high-energy regime, however, the reaction pathway is believed to involve a short-lived complex that preferably samples reactants from the broad center-of-mass energy distribution with lower collision energy components. Contributions from an abstraction mechanism cannot be ruled out.

UR - http://www.scopus.com/inward/record.url?scp=0031207468&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0031207468&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0031207468

VL - 101

SP - 5846

EP - 5851

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

SN - 1089-5639

IS - 33

ER -