scholarly journals A combined crossed molecular beams and computational study on the formation of distinct resonantly stabilized C5H3 radicals via chemically activated C5H4 and C6H6 intermediates

2018 ◽  
Vol 20 (16) ◽  
pp. 10906-10925 ◽  
Author(s):  
Aaron M. Thomas ◽  
Michael Lucas ◽  
Long Zhao ◽  
Jerid Liddiard ◽  
Ralf I. Kaiser ◽  
...  
Keyword(s):  
Computational Study ◽  
Molecular Beams ◽  
Single Collision ◽  
Crossed Molecular Beams

In a single-collision environment dicarbon reacts with 1-butyne to form resonantly stabilized C5H3 radical products.

Gas-Phase Synthesis of Boronylallene (H2CCCH(BO)) under Single Collision Conditions: A Crossed Molecular Beams and Computational Study

2014 ◽  
Vol 118 (21) ◽  
pp. 3810-3819 ◽  
Author(s):  
Surajit Maity ◽  
Dorian S. N. Parker ◽  
Ralf I. Kaiser ◽  
Brad Ganoe ◽  
Stefan Fau ◽  
...  
Keyword(s):  
Gas Phase ◽  
Computational Study ◽  
Molecular Beams ◽  
Phase Synthesis ◽  
Single Collision ◽  
Gas Phase Synthesis ◽  
Crossed Molecular Beams

A Crossed Molecular Beams and Computational Study of the Formation of the Astronomically Elusive Thiosilaformyl Radical (HSiS, X2A′)

2021 ◽  
pp. 5979-5986
Author(s):  
Shane J. Goettl ◽  
Zhenghai Yang ◽  
Srinivas Doddipatla ◽  
Chao He ◽  
Márcio O. Alves ◽  
...  
Keyword(s):  
Computational Study ◽  
Molecular Beams ◽  
Crossed Molecular Beams

Combined crossed molecular beams and computational study on the N(2D) + HCCCN(X1Σ+) reaction and implications for extra-terrestrial environments

2021 ◽  
pp. e1948126
Author(s):  
Pengxiao Liang ◽  
Luca Mancini ◽  
Demian Marchione ◽  
Gianmarco Vanuzzo ◽  
Francesco Ferlin ◽  
...  
Keyword(s):  
Computational Study ◽  
Molecular Beams ◽  
Crossed Molecular Beams ◽  
Terrestrial Environments

Directed Gas-Phase Preparation of the Elusive Phosphinosilylidyne (SiPH2, X2A’’) and Cis/Trans Phosphinidenesilyl (HSiPH; X2A’) Radicals Under Single-Collision Conditions

2021 ◽  
Author(s):  
Chao He ◽  
Shane Joseph Goettl ◽  
Zhenghai Yang ◽  
Srinivas Doddipatla ◽  
Ralf I. Kaiser ◽  
...  
Keyword(s):  
Gas Phase ◽  
Molecular Beams ◽  
Experimental Results ◽  
Single Collision ◽  
Crossed Molecular Beams

The reaction of the D1-silylidyne radical (SiD; X2Π) with phosphine (PH3; X1A1) was conducted in a crossed molecular beams machine under single collision conditions. Merging of the experimental results with...

A combined crossed molecular beams and ab initio investigation on the formation of vinylsulfidoboron (C2H311B32S)

2014 ◽  
Vol 16 (33) ◽  
pp. 17580-17587 ◽  
Author(s):  
Tao Yang ◽  
Beni B. Dangi ◽  
Dorian S. N. Parker ◽  
Ralf I. Kaiser ◽  
Yi An ◽  
...  
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Phase Formation ◽  
Molecular Beams ◽  
Single Collision ◽  
Crossed Molecular Beams

Bimolecular gas phase formation of vinylsulfidoboron (C2H311B32S) under single collision conditions.

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.

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