Excitation of the Asymmetric Stretch Vibration of CO<sub>2</sub> in OH+CO→H+CO<sub>2</sub> Reaction

Chen, Shi; Ren, Li; Kong, Fanzuo

doi:10.1002/cphc.200500695

Cited by 8 publications

(10 citation statements)

References 40 publications

(43 reference statements)

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“…However, no absorption from the (0,0,1) level (antisymmetric stretching) was detected. Shi et al reported significant excitation in the antisymmetric stretching mode of the CO 2 product . The limited CO 2 vibrational excitation observed in experiment of Frost et al is consistent with the translational distribution in the molecular beam experiment, which peaks near the highest accessible translational energy. , …”

Section: Introductionmentioning

confidence: 53%

“…The dynamics of the reaction has also been investigated experimentally. − Crossed molecular beam , and real-time measurements , indicated a relatively short lifetime for the HOCO intermediate. Translational energy distributions of the products suggested limited vibrational excitation in the CO 2 product, , although few state-resolved experiments have been reported.…”

Section: Introductionmentioning

confidence: 99%

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CO₂ Vibrational State Distributions From Quasi-Classical Trajectory Studies of the HO + CO → H + CO₂ Reaction and H + CO₂ Inelastic Collision

Corchado

Espinosa‐García

et al. 2012

J. Phys. Chem. A

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Quasi-classical trajectory studies have been carried out for the HO + CO → H + CO2 reaction and H + CO2 inelastic collision on a recently developed global potential energy surface based on a large number of high-level ab initio points. The CO2 vibrational state distributions for these processes have been determined using an original normal-mode analysis method. It was found that the CO2 product of the reaction is highly excited in both the Fermi-linked bending and symmetric stretching modes, but little population was found in the antisymmetric stretching mode. The substantial excitation of the CO2 vibration, while consistent with the geometry of the transition state in the exit channel, is in disagreement with available experimental data. For the inelastic collision, the CO2 is much less excited despite much higher total energies. In addition, excitations in all vibrational modes were found, in good agreement with experiment.

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Section: Introductionmentioning

confidence: 53%

Section: Introductionmentioning

confidence: 99%

CO₂ Vibrational State Distributions From Quasi-Classical Trajectory Studies of the HO + CO → H + CO₂ Reaction and H + CO₂ Inelastic Collision

Corchado

Espinosa‐García

et al. 2012

J. Phys. Chem. A

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“…3(B) shows the in situ DRIFTS spectra while supplying NH 3 at 473 K. Peaks derived from NH 3 and N 2 species were also detected at around 3333, 1626, 1542 and 2178 cm –1 . 13 , 37 , 38 However, peaks assignable to the N–H vibrations derived from NH 4 + were very weak compared with those in Fig. 3(A) , even when applying the electric field.…”

Section: Resultsmentioning

confidence: 83%

Electrocatalytic synthesis of ammonia by surface proton hopping

et al. 2017

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“…Inelastic and reactive collisions of OH + CO were studied by crossed-molecular beam scattering [19][20][21] and transient FTIR spectroscopy. 22 The reverse reaction of H + CO 2 has been studied in van…”

Section: Kinetics Dynamics and Spectroscopymentioning

confidence: 99%

Spectroscopy and dynamics of the HOCO radical: insights into the OH + CO → H + CO₂reaction

Johnson

Otto

Continetti

2014

Phys. Chem. Chem. Phys.

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After more than forty years of scrutiny, crucial new details regarding the elementary reaction OH + CO → H + CO2 are still emerging from experimental and theoretical studies of the HOCO radical intermediate. In this perspective, previous studies of this elementary reaction and the structure and energetics of the HOCO radical will be briefly reviewed. Particular attention will be paid to the experimental techniques used in our laboratory to prepare excited HOCO radicals by both photodetachment and dissociative photodetachment of HOCO(-). These experiments directly probe the dynamics occurring on the ground and excited states of the HOCO radical, and are sensitive to both direct and tunneling-induced dissociation. Photoelectron-photofragment coincidence experiments on HOCO(-) in particular have been used to study tunneling from the HOCO well to form H + CO2 products. In addition, new experimental insights into the OH + CO entrance channel for the reaction will be presented. These studies have provided a number of constraints on the potential energy surface for this system from an energetic and dynamical perspective, and have helped spur a renewed effort to characterize the global potential energy surface and reaction dynamics of this fundamental chemical reaction. Outstanding questions and new directions for future work on the HOCO radical will be discussed.

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Excitation of the Asymmetric Stretch Vibration of CO₂ in OH+CO→H+CO₂ Reaction

Cited by 8 publications

References 40 publications

CO₂ Vibrational State Distributions From Quasi-Classical Trajectory Studies of the HO + CO → H + CO₂ Reaction and H + CO₂ Inelastic Collision

CO₂ Vibrational State Distributions From Quasi-Classical Trajectory Studies of the HO + CO → H + CO₂ Reaction and H + CO₂ Inelastic Collision

Electrocatalytic synthesis of ammonia by surface proton hopping

Spectroscopy and dynamics of the HOCO radical: insights into the OH + CO → H + CO₂reaction

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Excitation of the Asymmetric Stretch Vibration of CO2 in OH+CO→H+CO2 Reaction

Cited by 8 publications

References 40 publications

CO2 Vibrational State Distributions From Quasi-Classical Trajectory Studies of the HO + CO → H + CO2 Reaction and H + CO2 Inelastic Collision

CO2 Vibrational State Distributions From Quasi-Classical Trajectory Studies of the HO + CO → H + CO2 Reaction and H + CO2 Inelastic Collision

Electrocatalytic synthesis of ammonia by surface proton hopping

Spectroscopy and dynamics of the HOCO radical: insights into the OH + CO → H + CO2reaction

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Product

Resources

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Excitation of the Asymmetric Stretch Vibration of CO₂ in OH+CO→H+CO₂ Reaction

CO₂ Vibrational State Distributions From Quasi-Classical Trajectory Studies of the HO + CO → H + CO₂ Reaction and H + CO₂ Inelastic Collision

CO₂ Vibrational State Distributions From Quasi-Classical Trajectory Studies of the HO + CO → H + CO₂ Reaction and H + CO₂ Inelastic Collision

Spectroscopy and dynamics of the HOCO radical: insights into the OH + CO → H + CO₂reaction