Mechanistic Studies on Transition Metal-Catalyzed C-H Activation Reactions Using Combined Mass Spectrometry and Theoretical Methods
This 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 nitr...
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| Main Author | |
|---|---|
| Corporate Author | |
| Format | Electronic eBook |
| Language | English |
| Published |
Singapore :
Springer Singapore : Imprint: Springer,
2017.
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| Series | Springer Theses, Recognizing Outstanding Ph.D. Research,
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| Subjects | |
| Online Access | Full text |
| ISBN | 9789811045219 |
| ISSN | 2190-5053 |
| DOI | 10.1007/978-981-10-4521-9 |
| Physical Description | 1 online resource (XVII, 126 p. 95 illus., 77 illus. in color.) |
Cover
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| 100 | 1 | |a Cheng, Gui-Juan. |e author. | |
| 245 | 1 | 0 | |a Mechanistic Studies on Transition Metal-Catalyzed C-H Activation Reactions Using Combined Mass Spectrometry and Theoretical Methods / |c by Gui-Juan Cheng. |
| 264 | 1 | |a Singapore : |b Springer Singapore : |b Imprint: Springer, |c 2017. | |
| 300 | |a 1 online resource (XVII, 126 p. 95 illus., 77 illus. in color.) | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a počítač |b c |2 rdamedia | ||
| 338 | |a online zdroj |b cr |2 rdacarrier | ||
| 490 | 1 | |a Springer Theses, Recognizing Outstanding Ph.D. Research, |x 2190-5053 | |
| 505 | 0 | |a Introduction -- Mechanistic Studies on meta-C-H Activation Reaction -- Mechanistic Studies on MPAA-assisted meta-C-H Activation Reaction -- Mechanistic Studies on MPAA-assisted Asymmetric C-H Activation Reaction -- Mechanistic Studies on Cu-catalyzed sp3 C-H Cross-Dehydrogenative-Coupling Reaction -- Conclusions and Outlook. | |
| 506 | |a Plný text je dostupný pouze z IP adres počítačů Univerzity Tomáše Bati ve Zlíně nebo vzdáleným přístupem pro zaměstnance a studenty | ||
| 520 | |a This 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. The 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. | ||
| 650 | 0 | |a Chemistry. | |
| 650 | 0 | |a Mass spectrometry. | |
| 650 | 0 | |a Organometallic chemistry. | |
| 650 | 0 | |a Chemistry, Physical and theoretical. | |
| 650 | 0 | |a Catalysis. | |
| 655 | 7 | |a elektronické knihy |7 fd186907 |2 czenas | |
| 655 | 9 | |a electronic books |2 eczenas | |
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| 776 | 0 | 8 | |i Printed edition: |z 9789811045202 |
| 830 | 0 | |a Springer Theses, Recognizing Outstanding Ph.D. Research, |x 2190-5053 | |
| 856 | 4 | 0 | |u https://proxy.k.utb.cz/login?url=http://dx.doi.org/10.1007/978-981-10-4521-9 |
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| 993 | |x NEPOSILAT |y EIZ | ||