{"product_id":"9789811045202","title":"Springer Theses","description":"\u003ch1\u003eSpringer Theses\u003c\/h1\u003e \u003ch2\u003eCheng, Gui-Juan\u003c\/h2\u003e \u003cp\u003e\u003c\/p\u003e\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\u003cdiv\u003e\u003cbr\u003e\u003c\/div\u003e\u003cdiv\u003e\u003cbr\u003e\u003c\/div\u003e \u003cp\u003e\u003c\/p\u003e\u003cbr\u003e \u003ch3\u003eDetails\u003c\/h3\u003e \u003cp\u003ePublished by: Springer\u003c\/p\u003e \u003cp\u003ePublication Date: 2017-06-26\u003c\/p\u003e \u003cp\u003eFormat: Hardcover\u003c\/p\u003e \u003cp\u003eISBN-13: 9789811045202\u003c\/p\u003e \u003cp\u003eDOI: 10.1007\/978-981-10-4521-9\u003c\/p\u003e \u003cp\u003eDimensions: 235cm x155cm\u003c\/p\u003e \u003cp\u003ePages: 126\u003c\/p\u003e ","brand":"Springer Nature Singapore","offers":[{"title":"Default Title","offer_id":47393704312972,"sku":"9789811045202","price":98.99,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0710\/9545\/1788\/files\/9789811045202.jpg?v=1775769644","url":"https:\/\/lateknightbooks.com\/products\/9789811045202","provider":"Late Knight Books and Services, LLC","version":"1.0","type":"link"}