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Unravelling Photoinduced Electron Transfer Dynamics in Covalently Linked Bimetallic Complexes
Unravelling Photoinduced Electron Transfer Dynamics in Covalently Linked Bimetallic Complexes
상세정보
- 자료유형
- 학위논문 서양
- 최종처리일시
- 20250211152002
- ISBN
- 9798383220948
- DDC
- 540
- 저자명
- Liu, Xiaolin.
- 서명/저자
- Unravelling Photoinduced Electron Transfer Dynamics in Covalently Linked Bimetallic Complexes
- 발행사항
- [Sl] : University of Washington, 2024
- 발행사항
- Ann Arbor : ProQuest Dissertations & Theses, 2024
- 형태사항
- 93 p
- 주기사항
- Source: Dissertations Abstracts International, Volume: 86-01, Section: B.
- 주기사항
- Advisor: Li, Xiaosong.
- 학위논문주기
- Thesis (Ph.D.)--University of Washington, 2024.
- 초록/해제
- 요약Photoinduced electron transfer (PET) processes are crucial in solar energy conversion and photocatalysis. Understanding the mechanism is very important to improve the efficiency and selectivity of PET. Bimetallic complexes that couple transition metal chromophores and catalytic centers with a bridging ligand are ideal molecular architectures for studying PET processes because they resemble photosynthetic molecules with multiple transition metal centers occurring in nature and through careful ligand design, explicit control of molecular geometry can be achieved. In this thesis, modern computational chemistry methods are employed to unravel excited state electronic and structural dynamics of bimetallic complexes. In Chapter 1, an introduction to the theoretical background in density functional theory and electron-nuclear dynamics is given. We then briefly review previous studies on bimetallic complexes and discuss the conformational differences in selected bimetallic complexes between the solution phase and solid state at ground state in Chapter 2. In Chapter 3, we study bridge-mediated metal-to-metal electron and hole transfer initiated by a photoinduced metal-to-ligand charge transfer excitation. In the last chapter, we establish the site-specificness of static nitrogen K-edge in the bimetallic complexes, laying the foundation for future time-resolved nitrogen K-edge experiments. Overall, the results shown in the thesis can help support static and time-resolved N K-edge X-ray absorption spectra experiments on bimetallic complexes and provide insights into the rational design of these complexes.
- 일반주제명
- Chemistry
- 일반주제명
- Applied physics
- 일반주제명
- Energy
- 키워드
- Solar energy
- 기타저자
- University of Washington Chemistry
- 기본자료저록
- Dissertations Abstracts International. 86-01B.
- 전자적 위치 및 접속
- 로그인 후 원문을 볼 수 있습니다.
MARC
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■00520250211152002
■006m o d
■007cr#unu||||||||
■020 ▼a9798383220948
■035 ▼a(MiAaPQ)AAI31330075
■040 ▼aMiAaPQ▼cMiAaPQ
■0820 ▼a540
■1001 ▼aLiu, Xiaolin.
■24510▼aUnravelling Photoinduced Electron Transfer Dynamics in Covalently Linked Bimetallic Complexes
■260 ▼a[Sl]▼bUniversity of Washington▼c2024
■260 1▼aAnn Arbor▼bProQuest Dissertations & Theses▼c2024
■300 ▼a93 p
■500 ▼aSource: Dissertations Abstracts International, Volume: 86-01, Section: B.
■500 ▼aAdvisor: Li, Xiaosong.
■5021 ▼aThesis (Ph.D.)--University of Washington, 2024.
■520 ▼aPhotoinduced electron transfer (PET) processes are crucial in solar energy conversion and photocatalysis. Understanding the mechanism is very important to improve the efficiency and selectivity of PET. Bimetallic complexes that couple transition metal chromophores and catalytic centers with a bridging ligand are ideal molecular architectures for studying PET processes because they resemble photosynthetic molecules with multiple transition metal centers occurring in nature and through careful ligand design, explicit control of molecular geometry can be achieved. In this thesis, modern computational chemistry methods are employed to unravel excited state electronic and structural dynamics of bimetallic complexes. In Chapter 1, an introduction to the theoretical background in density functional theory and electron-nuclear dynamics is given. We then briefly review previous studies on bimetallic complexes and discuss the conformational differences in selected bimetallic complexes between the solution phase and solid state at ground state in Chapter 2. In Chapter 3, we study bridge-mediated metal-to-metal electron and hole transfer initiated by a photoinduced metal-to-ligand charge transfer excitation. In the last chapter, we establish the site-specificness of static nitrogen K-edge in the bimetallic complexes, laying the foundation for future time-resolved nitrogen K-edge experiments. Overall, the results shown in the thesis can help support static and time-resolved N K-edge X-ray absorption spectra experiments on bimetallic complexes and provide insights into the rational design of these complexes.
■590 ▼aSchool code: 0250.
■650 4▼aChemistry
■650 4▼aApplied physics
■650 4▼aEnergy
■653 ▼aEhrenfest dynamics
■653 ▼aPhoto-induced electron transfer
■653 ▼aX-ray absorption spectroscopy
■653 ▼aPhotoinduced electron transfer
■653 ▼aSolar energy
■690 ▼a0485
■690 ▼a0215
■690 ▼a0791
■71020▼aUniversity of Washington▼bChemistry.
■7730 ▼tDissertations Abstracts International▼g86-01B.
■790 ▼a0250
■791 ▼aPh.D.
■792 ▼a2024
■793 ▼aEnglish
■85640▼uhttp://www.riss.kr/pdu/ddodLink.do?id=T17162349▼nKERIS▼z이 자료의 원문은 한국교육학술정보원에서 제공합니다.
