{"product_id":"mechanistic-studies-on-transition-metal-catalyzed-gui-juan-cheng-9789811045202","title":"Mechanistic Studies on Transition Metal-Catalyzed C-H Activation Reactions Using Combined Mass Spectrometry and Theoretical Methods","description":"\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\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 \u003cp\u003e\u003c\/p\u003e \u003cp\u003e\u003c\/p\u003e\u003cbr\u003e\u003cbr\u003e\u003cbr\u003e\u003cb\u003eAuthor:\u003c\/b\u003e Gui-Juan Cheng\u003cbr\u003e\u003cb\u003eISBN-10:\u003c\/b\u003e 9811045208\u003cbr\u003e\u003cb\u003eISBN-13:\u003c\/b\u003e 9789811045202\u003cbr\u003e\u003cb\u003ePublisher:\u003c\/b\u003e Springer\u003cbr\u003e\u003cb\u003eLanguage:\u003c\/b\u003e English\u003cbr\u003e\u003cb\u003ePublished:\u003c\/b\u003e 06\/26\/2017\u003cbr\u003e\u003cb\u003ePages:\u003c\/b\u003e 126\u003cbr\u003e\u003cb\u003eFormat:\u003c\/b\u003e Hardcover\u003cbr\u003e\u003cb\u003eWeight:\u003c\/b\u003e 0.84lbs\u003cbr\u003e\u003cb\u003eSize:\u003c\/b\u003e 9.21h x 6.14w x 0.38d","brand":"Gui-Juan Cheng","offers":[{"title":"Hardcover","offer_id":47424662896895,"sku":"9789811045202","price":109.99,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0662\/2982\/9887\/files\/img_db26f0ef-6e29-4468-a1bd-db94e1b42ec5.jpg?v=1761531714","url":"https:\/\/www.whiterainbookhouse.com\/products\/mechanistic-studies-on-transition-metal-catalyzed-gui-juan-cheng-9789811045202","provider":"WR Book House","version":"1.0","type":"link"}