The direct production of CO(v=1–9) in the reaction of O(3P) with the ethyl radical

Reid, Jonathan P.; Marcy, T. P.; Kuehn, Seppe; Leone, Stephen R.

doi:10.1063/1.1288791

Cited by 21 publications

(28 citation statements)

References 32 publications

(41 reference statements)

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“…The internal energy of the ethoxy radical formed in these reactions was peaked at roughly 4.0, 2.5, and 1.5 eV, respectively. CH 3 + CH 2 O formation was favored when O 3 and NO 3 were used, and the resulting internal energy of the ethoxy radical was lower; when O was used, the H + CH 3 CHO channel was favored. OH + C 2 H 4 was also seen in this study when ethyl radical reacted with O and O 3 , but RRKM calculations implied that this channel was due to direct abstraction of a H atom from the ethyl radical and did not involve ethoxy as an intermediate.…”

Section: Introductionmentioning

confidence: 99%

“…2,18 The reaction of O( 3 P) with ethyl radical, which can lead to the formation of the ethoxy radical with a great deal of excess energy, has been the subject of several experimental studies. [2][3][4]18,19 The fragmentation of chemically activated ethoxy radical formed in the reactions of ethyl radical with O, O 3 , and NO 3 was compared, 2 and it was found that both CH 3 + CH 2 O and H + CH 3 CHO were formed in all cases. The internal energy of the ethoxy radical formed in these reactions was peaked at roughly 4.0, 2.5, and 1.5 eV, respectively.…”

Section: Introductionmentioning

confidence: 99%

“…Both of these rearrangements are exothermic. Rate calculations, including recent calculations at temperatures up to 2500 K, 16 indicate that the rates for both rearrangements are much lower than those for either CH 3 or H atom loss. 2,18 The reaction of O( 3 P) with ethyl radical, which can lead to the formation of the ethoxy radical with a great deal of excess energy, has been the subject of several experimental studies.…”

Section: Introductionmentioning

confidence: 99%

“…1 In combustion, it has been implicated as an intermediate in the reaction of triplet oxygen with ethyl radical, [2][3][4] dissociating to products as follows:…”

Section: Introductionmentioning

confidence: 99%

“…Many product channels, including all those in Figure 1, are thermodynamically accessible at these energies 21,[26][27][28][29][30][31] Several of the above channels (3,5,6, and 8) have very similar fragment mass ratios, the basis upon which products are assigned in this experiment, and the mass resolution was insufficient for an unambiguous determination of the products. On the basis of the shifts in fragment masses between CH 3 CH 2 O and CD 3 CD 2 O, the fragments were identified as H 2 O and vinyl radical (channel 5).…”

Section: Introductionmentioning

confidence: 99%

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Photodissociation Dynamics of the Ethoxy Radical Investigated by Photofragment Coincidence Imaging

et al. 2005

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The photodissociation dynamics of the ethoxy radical (CH 3 CH 2 O) have been studied at energies from 5.17 to 5.96 eV using photofragment coincidence imaging. The upper state of the electronic transition excited at these energies is assigned to the C 2 A′′state on the basis of electronic structure calculations. Fragment mass distributions show two photodissociation channels, OH + C 2 H 4 and CH 3 + CH 2 O. The presence of an additional photodissociation channel, identified as D + C 2 D 4 O, is revealed in time-of-flight distributions from the photodissociation of CD 3 CD 2 O. The product branching ratios and fragment translational energy distributions for all of the observed mass channels are nonstatistical. Moreover, the significant yield of OH + C 2 H 4 product suggests that the mechanism for this channel involves isomerization on the excited-state surface. Photodissociation at a much lower yield is seen following excitation at 3.91 eV, corresponding to a vibronic band of the B 2 A′ r X 2 A′′ transition.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

“…1 In combustion, it has been implicated as an intermediate in the reaction of triplet oxygen with ethyl radical, [2][3][4] dissociating to products as follows:…”

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Photodissociation Dynamics of the Ethoxy Radical Investigated by Photofragment Coincidence Imaging

et al. 2005

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Experimental measurements and kinetic modeling of CH₄/O₂ and CH₄/C₂H₆/O₂ conversion at high pressure

Rasmussen

Jakobsen

Glarborg

2008

Int J of Chemical Kinetics

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A detailed chemical kinetic model for homogeneous combustion of the light hydrocarbon fuels CH4 and C2H6 in the intermediate temperature range roughly 500–1100 K, and pressures up to 100 bar has been developed and validated experimentally. Rate constants have been obtained from critical evaluation of data for individual elementary reactions reported in the literature with particular emphasis on the conditions relevant to the present work. The experiments, involving CH4/O2 and CH4/C2H6/O2 mixtures diluted in N2, have been carried out in a high‐pressure flow reactor at 600–900 K, 50–100 bar, and reaction stoichiometries ranging from very lean to fuel‐rich conditions. Model predictions are generally satisfactory. The governing reaction mechanisms are outlined based on calculations with the kinetic model. Finally, the mechanism was extended with a number of reactions important at high temperature and tested against data from shock tubes, laminar flames, and flow reactors. © 2008 Wiley Periodicals, Inc. Int J Chem Kinet 40: 778–807, 2008

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Comparative study of the photoassociation reaction of He + X⁺→ HeX⁺ (X = H, D): Including multiphoton transitions and dissociations

Jing¹,

Wang

Zhou³

et al. 2020

Int J of Quantum Chemistry

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Using the time-dependent quantum wave packet method, the photoassociation (PA) processes of He + H + ! HeH + and He + D + ! HeD + , driven by the sin 2 -shaped femtosecond laser pulse in the electronic ground state, including multiphoton transitions and dissociations, are investigated for a wide range of initial collision momenta spanning from 1 to 4 a.u. (or for the collision energy roughly in the ranges of 0.0090.148 eV and 0.0060.089 eV for HeH + and HeD + systems, respectively). It is found that, at some collision momenta, multiphoton transitions to deeply bound states are inevitable to occur and can greatly decrease the PA probability of the target state that selected is the vibrational state v = 6. For the dissociation process, the higher-order (two-and three-photon) dissociations, measured from the target state, tend to be significant at relative high collision energies, which implies that abovethreshold dissociations may also be an important loss mechanism in the PA process.In addition, it is also shown that the higher-order dissociation is much stronger for HeH + systems than that for HeD + systems at a given collision momentum, and could be enhanced by the strong transitions among deeply bound states.above-threshold dissociations, dissociations, multiphoton transitions, photoassociation, time-dependent quantum wave packet method | INTRODUCTIONAs a rapidly developing research field, preparations of cold and ultracold molecules have attracted significant attention in recent years. [1][2][3][4][5][6] These produced molecules, which present strong quantal features, can be used to explore various novel phenomena and dynamic mechanisms, such as the quantum fluid [7] and the topological superfluid phase. [8] Furthermore, these molecules are also important in the measurement of fundamental physical constants, [9][10][11] and in the field of molecular spectroscopy [12] and ultracold chemistry. [13,14] Among myriad routes to prepare ultracold molecules, photoassociation (PA) emerges as an efficient method, which allows us to directly synthesize ultracold molecules, with the interaction of laser field, from an assembly of laser-cooled atoms. [1,2] In a general PA process, a pair of ultracold atoms colliding in the ground electronic state is firstly associated into vibrational levels of the excited electronic state by absorbing one photon. Then, it is followed a stabilization step by either the spontaneous or stimulated emission, which enables us to obtain ultracold groundstate molecules. In the past few years, a burst of PA schemes have been seen, such as chirped pulses, [15,16] asymmetric pulses (or a train of these pulses), [17,18] electric-magnetic fields, [19] pump-dump shames (or a combination of these shames with chirped pulses), [20][21][22] and so on. Recently, we found that the molecular alignment occurs in the pump-dump PA process and can also be used to control the PA process. [23] In addition, for heteronuclear molecular systems with considerable permanent dipole moments, such as He + H + , [24,25] H +...

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The direct production of CO(v=1–9) in the reaction of O(3P) with the ethyl radical

Cited by 21 publications

References 32 publications

Photodissociation Dynamics of the Ethoxy Radical Investigated by Photofragment Coincidence Imaging

Photodissociation Dynamics of the Ethoxy Radical Investigated by Photofragment Coincidence Imaging

Experimental measurements and kinetic modeling of CH₄/O₂ and CH₄/C₂H₆/O₂ conversion at high pressure

Comparative study of the photoassociation reaction of He + X⁺→ HeX⁺ (X = H, D): Including multiphoton transitions and dissociations

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The direct production of CO(v=1–9) in the reaction of O(3P) with the ethyl radical

Cited by 21 publications

References 32 publications

Photodissociation Dynamics of the Ethoxy Radical Investigated by Photofragment Coincidence Imaging

Photodissociation Dynamics of the Ethoxy Radical Investigated by Photofragment Coincidence Imaging

Experimental measurements and kinetic modeling of CH4/O2 and CH4/C2H6/O2 conversion at high pressure

Comparative study of the photoassociation reaction of He + X+→ HeX+ (X = H, D): Including multiphoton transitions and dissociations

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Product

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About

Experimental measurements and kinetic modeling of CH₄/O₂ and CH₄/C₂H₆/O₂ conversion at high pressure

Comparative study of the photoassociation reaction of He + X⁺→ HeX⁺ (X = H, D): Including multiphoton transitions and dissociations