Citation: Xue-Lu Ma, Meng Li, Jun-Bo Lu, Cong-Qiao Xu, Jun Li. Recent Developments of Dinitrogen Activation on Metal Complexes and Clusters[J]. Chinese Journal of Structural Chemistry, ;2022, 41(12): 2212080-2212088. doi: 10.14102/j.cnki.0254-5861.2022-0197 shu

Recent Developments of Dinitrogen Activation on Metal Complexes and Clusters

  • Author Bio: Xue-Lu Ma is a lecture of School of Chemical & Environmental Engineering at China University of Mining & Technology—Beijing (CUMTB). She completed her PhD in 2016 at Beijing University of Chemical Technology and worked with a postdoctoral fellowship during 2016-2018 in Tsinghua University. Her research interests focus on the computational chemistry and theoretical catalysis
    Meng Li received her BSc from Hebei Normal University of Science and Technology in 2020. She is currently studying for her master's degree at School of Chemical & Environmental Engineering, CUMTB. Her research work focuses on computational homogeneous catalysis
    Jun-Bo Lu obtained his BSc from Lanzhou University in 2015, and PhD degree from Tsinghua University in 2020 under the supervision of Prof. Jun Li. He is now working on electronic structure of lanthanide and actinide systems. His current research focuses on computational actinide chemistry, which covers the application of quantum chemistry methods in the study of small molecule activation by homogeneous catalysts containing low-valent uranium and thorium
    Cong-Qiao Xu received her PhD degree from the Department of Chemistry, Tsinghua University in 2017 under the supervision of Prof. Jun Li and then became a postdoctoral fellow at Tsinghua University from 2017 to 2019. She is currently a research associate professor at the Department of Chemistry at Southern University of Science and Technology. Her research interests focus on theoretical inorganic chemistry and computational catalysis science
    Jun Li is a Professor in Theoretical Chemistry at the Department of Chemistry, Tsinghua University, China. He received his PhD from Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences in 1992 and carried out postdoctoral research at Siegen University (Germany) and Ohio State University (USA). He then worked at the Pacific Northwest National Laboratory as a Senior Research Scientist and Chief Scientist until 2009. His research interests include f-element relativistic quantum chemistry, computational catalysis, and theoretical cluster chemistry (group website:
  • Corresponding author: Jun Li,
  • Received Date: 16 September 2022
    Accepted Date: 4 October 2022
    Available Online: 9 October 2022


  • Dinitrogen (N2) is the major component of the atmosphere and many factors bring about dinitrogen inertness with low reactivity. Dinitrogen activation on metal complexes and clusters under ambient condition is the long-standing goal in the modern chemistry. In this review, an attempt has been made to survey the mechanistic aspects of dinitrogen activation and functionalization based on different coordination binding modes of dinitrogen. Our goal is to provide a comprehensive survey of dinitrogen activation in order to guide the relevant research in the future.
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