2024-03-28T14:55:27Zhttps://eprints.lib.hokudai.ac.jp/dspace-oai/requestoai:eprints.lib.hokudai.ac.jp:2115/825952023-01-20T02:18:44Zhdl_2115_20039hdl_2115_116Pincer-Type Phosphorus Compounds with Boryl-Pendant and Application in Catalytic H-2 Generation from Ammonia-Borane: A Theoretical StudyYang, DeshuaiBao, PanqingYang, ZhenChen, ZhaoxuSakaki, ShigeyoshiMaeda, SatoshiZeng, Guixiangammonia boranetheoretical studydehydrogenationpincer-type phosphorusphosphorus-boryl cooperation431Metal-free catalysts composed of heavy main group element(s) have been limited. Herein, a theoretical study unveils that pincer-type phosphorus compound bearing a boryl-pendant is good catalyst for H-2 generation from ammonia borane through phosphorus-boryl (P-B) cooperation function. Pincer-type phosphorus compound without boryl-pendant is not active for this reaction, indicating the important role of the P-B cooperation function.Wiley-BlackwellJournal Articlehttp://hdl.handle.net/2115/825951867-3880ChemCatChem1318392539292021-09-03enginfo:doi/10.1002/cctc.202100661none