{"product_id":"mechanistic-studies-on-transition-metal-catalyzed-c-h-activation-reactions-using-combined-mass-spectrometry-and-theoretical-methods-von-gui-juan-cheng","title":"Mechanistic Studies on Transition Metal-Catalyzed C–H Activation Reactions Using Combined Mass Spectrometry and Theoretical Methods","description":"\n                                \n                \u003cp\u003eThis thesis presents detailed mechanistic studies on a series of important C-H activation reactions using combined computational methods and mass spectrometry experiments. It also provides guidance on the design and improvement of catalysts and ligands. The reactions investigated include: (i) a nitrile-containing template-assisted meta-selective C-H activation, (ii) Pd\/mono-N-protected amino acid (MPAA) catalyzed meta-selective C-H activation, (iii) Pd\/MPAA catalyzed asymmetric C-H activation reactions, and (iv) Cu-catalyzed sp3 C-H cross-dehydrogenative-coupling reaction. \u003c\/p\u003e\n                                \n                \u003cp\u003eThe book reports on a novel dimeric Pd-M (M = Pd or Ag) model for reaction (i), which successfully explains the meta-selectivity observed experimentally. For reaction (ii), with a combined DFT\/MS method, the author successfully reveals the roles of MPAA ligands and a new C-H activation mechanism, which accounts for the improved reactivity and high meta-selectivity and opens new avenues for ligand design. She subsequently applies ion-mobility mass spectrometry to capture and separate the [Pd(MPAA)(substrate)] complex at different stages for the first time, providing support for the internal-base model for reaction (iii). Employing DFT studies, she then establishes a chirality relay model that can be widely applied to MPAA-assisted asymmetric C-H activation reactions. Lastly, for reaction (iv) the author conducts detailed computational studies on several plausible pathways for Cu\/O2 and Cu\/TBHP systems and finds a reliable method for calculating the single electron transfer (SET) process on the basis of benchmark studies.\u003c\/p\u003e\n                                \n                \u003cbr\u003e\n                                \n                \u003cbr\u003e\n                                 \n                \n                \u003cp\u003e\u003c\/p\u003e\n                                \n                \u003cbr\u003e\n                            \n            \u003cdiv class=\"aw-variant-hidden-subtitle-div\" id=\"aw-variant-subtitle-9789811351570\"\u003e\u003ch3\u003e\u003c\/h3\u003e\u003c\/div\u003e","brand":"Libri","offers":[{"title":"Softcover - 9789811351570","offer_id":39437571227741,"sku":"9789811351570","price":106.99,"currency_code":"EUR","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0940\/0622\/files\/f2d6c2ab-f404-4899-a279-7c06d5a1cd66.jpg?v=1782197198","url":"https:\/\/shop.autorenwelt.de\/products\/mechanistic-studies-on-transition-metal-catalyzed-c-h-activation-reactions-using-combined-mass-spectrometry-and-theoretical-methods-von-gui-juan-cheng","provider":"Autorenwelt Shop","version":"1.0","type":"link"}