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• W3186368633 abstract "The reaction of the nitrogen atom (N) in its first electronically excited state (2D) with cyanoacetylene (HC3N) has been investigated under single-collision conditions by using the crossed molecular beam method with mass spectrometric detection at a collision energy of 31 kJ mol−1. With the support of electronic structure calculations, we found that this reaction proceeds via the barrierless addition of the N(2D) atom to the carbon–carbon triple bond of HC3N, followed by the formation of a cyclic intermediate adduct HC(N)CCN, which dissociates to C(N)CCN + H products or isomerises to a more stable intermediate HNCCCN by H-migration and ring-opening processes. The long-lived HNCCCN complex produces the linear 3Σg– ground state dicyanocarbene (NCCCN) radical plus atomic hydrogen through a barrierless unimolecular dissociation accompanied by a negligible competitive channel forming the NCCCN radical (1A1) with a bent C2v structure plus H. The main product of this neutral-neutral reaction is the 3NCCCN radical that could be a potential precursor to form other nitriles (C2N2, C3N) or more complex organic species in planetary atmospheres, such as that of Titan and Pluto, in cometary comas, and in UV irradiated interstellar environments." @default.
• W3186368633 created "2021-08-02" @default.
• W3186368633 creator A5025047301 @default.
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• W3186368633 date "2021-07-05" @default.
• W3186368633 modified "2023-09-27" @default.
• W3186368633 title "Combined crossed molecular beams and computational study on the N(²D) + HCCCN(X¹Σ⁺) reaction and implications for extra-terrestrial environments" @default.
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• W3186368633 doi "https://doi.org/10.1080/00268976.2021.1948126" @default.
• W3186368633 hasPublicationYear "2021" @default.
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