• Chinese Journal of Chemical Physics
  • Vol. 33, Issue 5, 507 (2020)
Li-hui Mou1,2,3, Gui-duo Jiang1,2,3, Zi-yu Li1,3,*, and Sheng-gui He1,2,3,*
Author Affiliations
  • 1State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China
  • 2University of Chinese Academy of Sciences, Beijing 100049, China
  • 3Beijing National Laboratory for Molecular Sciences and CAS Research/Education Center of Excellence in Molecular Sciences, Beijing 100190, China
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    DOI: 10.1063/1674-0068/cjcp2008141 Cite this Article
    Li-hui Mou, Gui-duo Jiang, Zi-yu Li, Sheng-gui He. Activation of Dinitrogen by Gas-Phase Species[J]. Chinese Journal of Chemical Physics, 2020, 33(5): 507 Copy Citation Text show less

    Abstract

    Reactions of gas-phase species with small molecules are being actively studied to understand the elementary steps and mechanistic details of related condensed-phase processes. Activation of the very inert N$\equiv$N triple bond of dinitrogen molecule by isolated gas-phase species has attracted considerable interest in the past few decades. Apart from molecular adsorption and dissociative adsorption, interesting processes such as C-N coupling and degenerate ligand exchange were discovered. The present review focuses on the recent progress on adsorption, activation, and functionalization of N2 by gas-phase species (particularly metal cluster ions) using mass spectrometry, infrared photo-dissociation spectroscopy, anion photoelectron spectroscopy, and quantum chemical calculations including density functional theory and high-level ab initio calculations. Recent advances including characterization of adsorption products, dependence of clusters' reactivity on their sizes and structures, and mechanisms of N$\equiv$N weakening and splitting have been emphasized and prospects have been discussed.
    $ Ta3N3+N2Ta3N5 $ (1)

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    $ Ta3N3H+N2Ta3N5H $ (2)

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    $ Ta2C4+N2Ta2C4N2 $ (3)

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    $ Ta2C4N2+XeTa2C4+N2+Xe,Ec3.3eV $ (4)

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    $ Ta2C4N2+XeTa2C3N+CN+Xe,Ec4.6eV $ (5)

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    $ Ta214N++15N2Ta215N++14N15N $ (6)

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    $ V3C4+N2V3C4N2 $ (9)

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    $ V3C4N2+XeV2C4N2+V+Xe,Ec3.8eV $ (10)

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    $ V3C4N2+XeV3C3N+CN+Xe,Ec4.8eV $ (11)

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    Li-hui Mou, Gui-duo Jiang, Zi-yu Li, Sheng-gui He. Activation of Dinitrogen by Gas-Phase Species[J]. Chinese Journal of Chemical Physics, 2020, 33(5): 507
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