Product Branching Ratios of the NH (3.SIGMA.-) + NO and NH (3.SIGMA.-) + NO2 Reactions

Quandt, Robert W.; Hershberger, John F.

doi:10.1021/j100046a020

Cited by 26 publications

(30 citation statements)

References 7 publications

(8 reference statements)

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“…Production of OH(OD) in the NH(ND) + NO → N 2 + OH(OD) reaction can also be ruled out by the above observation. In any case, the yield of OH(OD) in the NH(ND) + NO reaction is small. − A similar result was obtained for CH 3 OD. The OH/OD ratio was 0.5 ± 0.1.…”

Section: Resultssupporting

confidence: 66%

Reactions of N(2²D) with CH₃OH and Its Isotopomers

Umemoto¹,

Kongo²,

Inaba³

et al. 1999

J. Phys. Chem. A

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The reaction pathways of N(2D) with methanol and its isotopomers were specified by laser pump-and-probe experiments and molecular orbital calculations. It was shown experimentally that CH3OH deactivates N(2D) efficiently to produce ground-state NH and OH radicals. The nascent state distributions of these radicals are not statistical, suggesting that the intermediate species decompose before energy randomization. A similar result was obtained for ND and OD formed in the N(2D)/CD3OD system. NH, ND, OH, and OD radicals were identified in partially deuterated systems. The ND/NH population ratio measurements show that NH and ND radicals are produced from both hydroxyl and methyl positions, but the former plays more important roles, one order of magnitude, than the latter. This is consistent with the result of ab initio molecular orbital calculations that the most favorable initial step is the addition of N(2D) to the O atom. The OD/OH ratio in the CD3OH system as well as the OH/OD ratio in the CH3OD system is 0.5. OH(OD) is produced mainly by the C−O bond scission just after the insertion of N(2D) into a C−H(C−D) bond, but the bond scission after intramolecular H/D scrambling is also important. This is also consistent with the result of calculations that the barrier height for the H(D) atom migration is much lower than the available energy.

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Section: Resultssupporting

confidence: 66%

Reactions of N(2²D) with CH₃OH and Its Isotopomers

Umemoto¹,

Kongo²,

Inaba³

et al. 1999

J. Phys. Chem. A

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“…Numerous secondary reactions are possible in this system, as almost any radical formed by the title reaction also reacts with NO 2 : At 298 K, the following rate constants (in cm 3 molecule -1 s -1 ) and branching ratios are applicable: k 2 = 1.4 × 10 -10 , k 3 = (3.8−5.8) × 10 -11 , − with φ 3a = 0.41 and φ 3b = 0.59, k 4 = (5.1−5.7) × 10 -11 , , with φ 4a = 0.63 and φ 4b = 0.37, k 5 = (1.8−2.8) × 10 -11 , , with φ 5a = 0.92 and φ 5b = 0.08, and k 6 = (7.4−9.3) × 10 -11 . , …”

Section: Discussionmentioning

confidence: 99%

A Diode Laser Study of the Product Branching Ratios of the CH + NO₂ Reaction

Rim

Hershberger

1998

J. Phys. Chem. A

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The reaction of CH radicals with NO2 was studied at 296 K using multiphoton photolysis of CHBr3 at 248 nm, followed by time-resolved infrared diode laser detection of reaction products. CO, CO2, and NO were detected in significant yield, while DCN (from CDBr3), N2O, HCNO, and HNCO were formed in undetectably low yields. On the basis of consideration of product yields and secondary chemistry, we find that the major product channel is H + CO + NO or HNO + CO, which together account for 92 ± 4% of the total rate constant. HCO + NO is a minor product channel, accounting for 8 ± 4%. Upper limits are estimated for several other product channels.

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“…The NH + NO 2 reaction has only been characterized at low temperature. We have adopted the overall rate constant from the measurement of Harrison et al [102] and the branching fraction between the two product channels, HNO + NO and N 2 O + OH, from Quandt and Hershberger [103].…”

Section: Chemical Kinetic Modelmentioning

confidence: 99%

The role of NNH in NO formation and control

Klippenstein

Harding

Glarborg³

et al. 2011

Combustion and Flame

333

268

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One of the remaining issues in our understanding of nitrogen chemistry in combustion is the chemistry of NNH. This species is known as a key intermediate in Thermal DeNO x , where NH 3 is used as a reducing agent for selective non-catalytic reduction of NO. In addition, NNH has been proposed to facilitate formation of NO from thermal fixation of molecular nitrogen through the socalled NNH mechanism. The importance of NNH for formation and reduction of NO depends on its thermal stability and its major consumption channels. In the present work, we study reactions on the NNH + O, NNH + O 2 , and NH 2 + O 2 potential energy surfaces using methods previously developed by Miller, Klippenstein, Harding, and their co-workers. Their impact on Thermal DeNO x and the NNH mechanism for NO formation is investigated in detail.

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Product Branching Ratios of the NH (3.SIGMA.-) + NO and NH (3.SIGMA.-) + NO2 Reactions

Cited by 26 publications

References 7 publications

Reactions of N(2²D) with CH₃OH and Its Isotopomers

Reactions of N(2²D) with CH₃OH and Its Isotopomers

A Diode Laser Study of the Product Branching Ratios of the CH + NO₂ Reaction

The role of NNH in NO formation and control

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Product Branching Ratios of the NH (3.SIGMA.-) + NO and NH (3.SIGMA.-) + NO2 Reactions

Cited by 26 publications

References 7 publications

Reactions of N(22D) with CH3OH and Its Isotopomers

Reactions of N(22D) with CH3OH and Its Isotopomers

A Diode Laser Study of the Product Branching Ratios of the CH + NO2 Reaction

The role of NNH in NO formation and control

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Product

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Reactions of N(2²D) with CH₃OH and Its Isotopomers

Reactions of N(2²D) with CH₃OH and Its Isotopomers

A Diode Laser Study of the Product Branching Ratios of the CH + NO₂ Reaction