DC Field | Value | Language |
---|---|---|
dc.contributor.advisor | Baik, Mu Hyun | - |
dc.contributor.advisor | 백무현 | - |
dc.contributor.author | 이유진 | - |
dc.date.accessioned | 2022-04-27T19:32:53Z | - |
dc.date.available | 2022-04-27T19:32:53Z | - |
dc.date.issued | 2018 | - |
dc.identifier.uri | http://library.kaist.ac.kr/search/detail/view.do?bibCtrlNo=982257&flag=dissertation | en_US |
dc.identifier.uri | http://hdl.handle.net/10203/296282 | - |
dc.description | 학위논문(석사) - 한국과학기술원 : 화학과, 2018.2,[iii, 39p :] | - |
dc.description.abstract | The amino compounds are versatile and important in various fields. Thus, development of efficient C-N bond-forming methods has been extensively explored. Herein the mechanism of the Co(III)-catalyzed C-N coupling reaction, which is the key step for catalytic C-H amidation, was investigated. DFT calculations elucidated the electronic structure and reactivity of Co-nitrenoid complex, which is the key intermediate, implying that the triplet species can be involved in the cobalt-catalyzed reaction. Comparative study on the reductive coupling step of the Group 9 [M = Co, Rh and Ir] metal complexes revealed that energy barrier becomes smaller down the group, and stability of the desired product is increased. The transition states change their characters to more reactant-like down the group, leading to lower reaction barrier. These findings are expected to be useful for development of the novel cobalt-catalysts. | - |
dc.language | eng | - |
dc.publisher | 한국과학기술원 | - |
dc.subject | Cobalt-Nitrenoid | - |
dc.subject | Electronic Structure | - |
dc.subject | Reactivity | - |
dc.subject | Catalyst | - |
dc.subject | C‒H Amidation | - |
dc.subject | 코발트-나이트레노이드 | - |
dc.subject | 전자 구조 | - |
dc.subject | 반응성 | - |
dc.subject | 촉매 | - |
dc.subject | 아미드화 반응 | - |
dc.title | Electronic Structure and Reactivity of Cobalt-Nitrenoid Species in Catalytic C‒H Amidation | - |
dc.title.alternative | 코발트-나이트레노이드 화학종의 전자 구조와 반응성에 관한 연구 | - |
dc.type | Thesis(Master) | - |
dc.identifier.CNRN | 325007 | - |
dc.description.department | 한국과학기술원 :화학과, | - |
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