Dutta Indranil, Yadav Sudhir, Sarbajna Abir, De Subhabrata, Hölscher Markus, Leitner Walter, Bera Jitendra K
Department of Chemistry and Center for Environmental Science and Engineering , Indian Institute of Technology Kanpur , Kanpur 208016 , India.
Institut für Technische und Makromolekulare Chemie , RWTH Aachen University , Worringerweg 2 , 52074 Aachen , Germany.
J Am Chem Soc. 2018 Jul 18;140(28):8662-8666. doi: 10.1021/jacs.8b05009. Epub 2018 Jul 2.
A ruthenium(II) complex bearing a naphthyridine-functionalized pyrazole ligand catalyzes oxidant-free and acceptorless selective double dehydrogenation of primary amines to nitriles at moderate temperature. The role of the proton-responsive entity on the ligand scaffold is demonstrated by control experiments, including the use of a N-methylated pyrazole analogue. DFT calculations reveal intricate hydride and proton transfers to achieve the overall elimination of 2 equiv of H.
一种带有萘啶功能化吡唑配体的钌（II）配合物在中等温度下催化伯胺进行无氧化剂和无受体的选择性双脱氢反应生成腈。通过对照实验，包括使用N-甲基化吡唑类似物，证明了质子响应实体在配体支架上的作用。密度泛函理论计算揭示了复杂的氢化物和质子转移过程，以实现总共消除2当量的氢。
