H-H Bond Activation

R. Mas-Ballesté, A. Lledós

Research output: Chapter in BookChapterResearchpeer-review

16 Citations (Scopus)


Dihydrogen is an essentially inert molecule that needs to be activated to take part in chemical transformations. This chapter outlines, with a mechanistic perspective, the pathways for the H-H bond-breaking/bond-forming processes, analyzing the species along these pathways (dihydrogen complexes, dihydrides, and monohydrides) and their interrelations. This chapter focuses on results collected between 2001 and 2011. The interplay between theory and experiment has been particularly beneficial in advancing the understanding of dihydrogen chemistry and is stressed throughout the chapter. © 2013 Elsevier Ltd. All rights reserved.
Original languageEnglish
Title of host publicationComprehensive Inorganic Chemistry II (Second Edition): From Elements to Applications
Number of pages39
Publication statusPublished - 1 Aug 2013


  • Compressed dihydride complexes
  • Dihydrogen bonding
  • Dihydrogen complexes
  • Elongated dihydrogen complexes
  • Heterolytic splitting
  • Homolytic splitting
  • Hydride metal complexes
  • Hydride protonation
  • Hydrogen activation
  • Hydrogenation mechanisms
  • Metal-free hydrogen activation
  • Theoretical calculations


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