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PreprintCC BYChemRxiv

A Crystalline Aminoborane Radical Defines a New Stabilization Strategy and Enables Dihydrogen Activation and Transformation

  • Leibo Tan1,2,3
  • Xiaocui Liu4,5,6,7
  • Junyi Wang4,5,8
  • Michael Moos9
  • Ivo Krummenacher1,2,3
  • Maik Finze1,2,3
  • Holger Braunschweig1,2,3
  • Christoph Lambert2,3,9
  • Zhenyang Lin8
  • Qing Ye1,2,3
9 affiliations
  1. 1Institute for Inorganic Chemistry, Julius-Maximilians-Universität Würzburg, Am Hubland, Würzburg, Germany, 97074
  2. 2Institute for Sustainable Chemistry & Catalysis with Boron
  3. 3Julius-Maximilians-Universita t Wu rzburg
  4. 4Department of Chemistry
  5. 5Southern University of Science and Technology
  6. 6State Key Laboratory of Traditional Chinese Medicine Syndromes
  7. 7Second Affiliated Hospital of Guangzhou University of Chinese Medicine
  8. 8Department of Chemistry, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, 999077
  9. 9Institute of Organic Chemistry, Julius-Maximilians-Universität Würzburg, Am Hubland, Würzburg, Germany, 97074
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Abstract

Borane radical anions are highly reactive open-shell species, yet their application in dihydrogen activation remains rare. Persistent borane radical anions have primarily been accessed through π-conjugation and kinetic protection. Here, we introduce an adaptive stabilization strategy in which a Zr center dynamically adjusts its coordination geometry to stabilize the boron-centered radical or to disengage from the boron center when reactivity is required. This strategy enables access to an aminoborane radical anion and its boron-centered reactivity toward dihydrogen activation and transformation. D2 labeling further confirmed the dihydrogen activation process and demonstrated that the activated hydrogen can be transferred to organic substrates. Theoretical calculations elucidate the adaptive B–Zr orbital interaction responsible for radical stabilization and the mechanism of H2 activation.

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Cite

BibTeXRIS
BibTeX
@misc{tan2026crystalline,
  title = {{A Crystalline Aminoborane Radical Defines a New Stabilization Strategy and Enables Dihydrogen Activation and Transformation}},
  author = {Leibo Tan and Xiaocui Liu and Junyi Wang and Michael Moos and Ivo Krummenacher and Maik Finze and Holger Braunschweig and Christoph Lambert and Zhenyang Lin and Qing Ye},
  howpublished = {ChemRxiv},
  year = {2026},
  month = sep,
  doi = {10.26434/chemrxiv.15009551/v1},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009551/v1},
  note = {CC BY},
}
RIS
TY  - UNPB
TI  - A Crystalline Aminoborane Radical Defines a New Stabilization Strategy and Enables Dihydrogen Activation and Transformation
AU  - Leibo Tan
AU  - Xiaocui Liu
AU  - Junyi Wang
AU  - Michael Moos
AU  - Ivo Krummenacher
AU  - Maik Finze
AU  - Holger Braunschweig
AU  - Christoph Lambert
AU  - Zhenyang Lin
AU  - Qing Ye
PY  - 2026
DA  - 2026/09/28
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15009551/v1
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009551/v1
AB  - Borane radical anions are highly reactive open-shell species, yet their application in dihydrogen activation remains rare. Persistent borane radical anions have primarily been accessed through π-conjugation and kinetic protection. Here, we introduce an adaptive stabilization strategy in which a Zr center dynamically adjusts its coordination geometry to stabilize the boron-centered radical or to disengage from the boron center when reactivity is required. This strategy enables access to an aminoborane radical anion and its boron-centered reactivity toward dihydrogen activation and transformation. D2 labeling further confirmed the dihydrogen activation process and demonstrated that the activated hydrogen can be transferred to organic substrates. Theoretical calculations elucidate the adaptive B–Zr orbital interaction responsible for radical stabilization and the mechanism of H2 activation.
ER  -