Crossed Molecular Beams and Quasiclassical Trajectory Surface Hopping Studies of the Multichannel Nonadiabatic O(3P) + Ethylene Reaction at High Collision Energy

2015 ◽  
Vol 119 (50) ◽  
pp. 12498-12511 ◽  
Author(s):  
Nadia Balucani ◽  
Francesca Leonori ◽  
Piergiorgio Casavecchia ◽  
Bina Fu ◽  
Joel M. Bowman
Keyword(s):  
Collision Energy ◽  
Molecular Beams ◽  
Surface Hopping ◽  
High Collision Energy ◽  
Crossed Molecular Beams

High Resolution Crossed Molecular Beams Study on the F+HD→HF+D Reaction at Collision Energy of 5.43–18.73 kJ/mol

2011 ◽  
Vol 24 (5) ◽  
pp. 507-514 ◽  
Author(s):  
Wen-rui Dong ◽  
Chun-lei Xiao ◽  
Tao Wang ◽  
Dong-xu Dai ◽  
Xiu-yan Wang ◽  
...  
Keyword(s):  
High Resolution ◽  
Collision Energy ◽  
Molecular Beams ◽  
Crossed Molecular Beams

High Resolution Crossed Molecular Beams Study on the F+HD→DF+H Reaction at Collision Energy of 8.19–18.98 kJ/mol

2011 ◽  
Vol 24 (5) ◽  
pp. 521-528 ◽  
Author(s):  
Wen-rui Dong ◽  
Chun-lei Xiao ◽  
Tao Wang ◽  
Dong-xu Dai ◽  
Xiu-yan Wang ◽  
...  
Keyword(s):  
High Resolution ◽  
Collision Energy ◽  
Molecular Beams ◽  
Crossed Molecular Beams

Orientational anisotropy in the total collision cross section of state-selected NO on CCl4 using crossed molecular beams

Physica ◽  
1972 ◽  
Vol 57 (2) ◽  
pp. 254-266 ◽  
Author(s):  
S. Stolte ◽  
J. Reuss ◽  
H.L. Schwartz
Keyword(s):  
Cross Section ◽  
Collision Cross Section ◽  
Molecular Beams ◽  
Crossed Molecular Beams ◽  
Total Collision

THE STEREODYNAMICS STUDY OF THE C(3P) + OH (X2 Π) → CO(X1Σ+) + H(2S) REACTION

2010 ◽  
Vol 09 (05) ◽  
pp. 935-943 ◽  
Author(s):  
PENG SONG ◽  
YONG-HUA ZHU ◽  
JIAN-YONG LIU ◽  
FENG-CAI MA
Keyword(s):  
Angular Momentum ◽  
Cross Sections ◽  
Collision Energy ◽  
Energy Surface ◽  
Center Of Mass ◽  
Title Reaction ◽  
High Collision Energy ◽  
Dependency Relationship ◽  
Energy Dependency ◽  
Mass Frame

The stereodynamics of the title reaction on the ground electronic state X2A' potential energy surface (PES)1 has been studied using the quasiclassical trajectory (QCT) method. The commonly used polarization-dependent differential cross-sections (PDDCSs) of the product and the angular momentum alignment distribution, P(θr) and P(Φr), are generated in the center-of-mass frame using QCT method to gain insight of the alignment and orientation of the product molecules. Influence of collision energy on the stereodynamics is shown and discussed. The results reveal that the distribution of P(θr) and P(Φr) is sensitive to collision energy. The PDDCSs exhibit different collision energy dependency relationship at low and high collision energy ranges.

A crossed molecular beams investigation of the reactions of atomic silicon (Si(3P)) with C4H6 isomers (1,3-butadiene, 1,2-butadiene, and 1-butyne)

2019 ◽  
Vol 520 ◽  
pp. 70-80
Author(s):  
Aaron M. Thomas ◽  
Beni B. Dangi ◽  
Tao Yang ◽  
Ralf I. Kaiser ◽  
Bing-Jian Sun ◽  
...  
Keyword(s):  
Molecular Beams ◽  
Crossed Molecular Beams

Crossed Molecular Beams Studies of Phenyl Radical Reactions with Propene and trans-2-Butene

2013 ◽  
Vol 117 (51) ◽  
pp. 13967-13975 ◽  
Author(s):  
Daniel R. Albert ◽  
Michael A. Todt ◽  
H. Floyd Davis
Keyword(s):  
Molecular Beams ◽  
Radical Reactions ◽  
Phenyl Radical ◽  
Crossed Molecular Beams

The dynamics of the reaction of O(1D) with HBr studied by crossed molecular beams and time-resolved Fourier transform spectroscopy

1994 ◽  
Vol 72 (3) ◽  
pp. 888-902 ◽  
Author(s):  
N. Balucani ◽  
L. Beneventi ◽  
P. Casavecchia ◽  
G. G. Volpi ◽  
E. J. Kruus ◽  
...  
Keyword(s):  
Fourier Transform ◽  
Large Fraction ◽  
Branching Ratio ◽  
Molecular Beams ◽  
Momentum Conservation ◽  
Fourier Transform Spectroscopy ◽  
Fast Time ◽  
Time Resolved ◽  
Vibrational Distribution ◽  
Crossed Molecular Beams

The reaction O(1D) + HBr has been investigated by the crossed molecular beams and infrared chemiluminescence methods in an effort to characterize the dynamics of both possible reactive channels. The angular and velocity distribution of the BrO product from the O(1D) + HBr → BrO + H pathway have been obtained in crossed beam experiments at collision energies, Ec, of 5.0 and 14.0 kcal/mol. The product center-of-mass angular distribution is found to be almost backward–forward symmetric at both Ec, with backward scattering being slightly favored, from which it is deduced that two processes contribute to this channel: a dominant one occurring via formation of a long-lived complex, following O(1D) insertion, and another one occurring via direct abstraction of the halogen atom and giving rise to a rebound dynamics. The large fraction (≈50%) of available energy released into translation indicates the existence of a potential barrier for H-displacement in the exit channel. From energy and angular momentum conservation arguments, it is inferred that BrO is formed rotationally very hot in the lowest vibrational levels of both 2Π3/2 and 2Π1/2 electronic states. The initial vibrational distribution of the OH product from the O(1D) + HBr → OH + Br channel has been measured using fast time-resolved Fourier transform spectroscopy. The vibrational distribution is strongly inverted, from which it is deduced that the HOBr intermediate dissociates very rapidly, before energy randomization occurs. A lower limit to the branching ratio of the relative cross sections for the BrO + H and OH + Br channels is derived (σ(BrO + H)/σ(OH + Br) ≥ 0.16 ± 0.07) and compared to recent bulk work. The dynamical results for the overall reaction are discussed with reference to the relevant singlet and triplet potential energy surfaces and possible molecular configurations involved. Comparison with the dynamics of the ground state reaction O(3P) + HBr → OH + Br is carried out also, to examine the effect of electronic excitation on the dynamics of the reactions of atomic oxygen with hydrogen halides.

Angle-energy distributions of Penning ions in crossed molecular beams. IV. He*(2 1S,2 3S)+H2→He+H2++e−

2004 ◽  
Vol 120 (18) ◽  
pp. 8485-8493 ◽  
Author(s):  
Keerti Gulati ◽  
Elizabeth J. Longley ◽  
Michael J. Dorko ◽  
Kyle L. Bittinger ◽  
P. E. Siska
Keyword(s):  
Molecular Beams ◽  
Energy Distributions ◽  
Crossed Molecular Beams

Crossed molecular beams studies of the reactions of uranium with selected oxidizers

1980 ◽  
Vol 69 (2) ◽  
pp. 301-304 ◽  
Author(s):  
Neil C. Lang ◽  
Richard C. Stern ◽  
Michael G. Finley
Keyword(s):  
Molecular Beams ◽  
Crossed Molecular Beams
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