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The Reaction N(²D) + CH₃CCH (Methylacetylene): A Combined Crossed Molecular Beams and Theoretical Investigation and Implications for the Atmosphere of Titan.

ABSTRACT: The reaction of excited nitrogen atoms N(²D) with CH₃CCH (methylacetylene) was investigated under single-collision conditions by the crossed molecular beams (CMB) scattering method with mass spectrometric detection and time-of-flight analysis at the collision energy (E_c) of 31.0 kJ/mol. Synergistic electronic structure calculations of the doublet potential energy surface (PES) were performed to assist the interpretation of the experimental results and characterize the overall reaction micromechanism. Theoretically, the reaction is found to proceed via a barrierless addition of N(²D) to the carbon-carbon triple bond of CH₃CCH and an insertion of N(²D) into the CH bond of the methyl group, followed by the

SUBMITTER: Mancini L

PROVIDER: S-EPMC8521525 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature

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The Reaction N(²D) + CH₃CCH (Methylacetylene): A Combined Crossed Molecular Beams and Theoretical Investigation and Implications for the Atmosphere of Titan.

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The Reaction N(2D) + CH3CCH (Methylacetylene): A Combined Crossed Molecular Beams and Theoretical Investigation and Implications for the Atmosphere of Titan.

OmicsDI is part of the ELIXIR infrastructure

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The Reaction N(²D) + CH₃CCH (Methylacetylene): A Combined Crossed Molecular Beams and Theoretical Investigation and Implications for the Atmosphere of Titan.