Understanding and Controlling Reaction Mechanisms Under Vibrational Strong Coupling

理解和控制振动强耦合下的反应机制

基本信息

  • 批准号:
    2101988
  • 负责人:
  • 金额:
    $ 50.87万
  • 依托单位:
  • 依托单位国家:
    美国
  • 项目类别:
    Continuing Grant
  • 财政年份:
    2021
  • 资助国家:
    美国
  • 起止时间:
    2021-09-01 至 2024-08-31
  • 项目状态:
    已结题

项目摘要

With support from the Chemical Structure, Dynamics, and Mechanisms-A (CSDM-A) Program in the Division of Chemistry, Wei Xiong and his group at the University of California-San Diego aim to understand the mechanisms of a specific set of chemical reactions in optical cavities. When reactants and/or products are in a cavity composed of two partial-reflective mirrors, and are highly concentrated to reach the so-called strong coupling regime, the activity and selectivity of reactions in the cavity can differ from the same reaction outside cavities. Such a phenomenon opens a new way to control chemical reactions and can profoundly impact reaction engineering through a simple optical method. However, there has been debate about the experimental observations that support the claim of cavity-modified reactions, and the molecular-level mechanisms of how the cavities modify reactions remain unclear. Dr. Xiong and his group aim to quantify the reaction in cavities and understand the underlying mechanisms through optical spectroscopy. A proper characterization of the cavity reactions and understanding of the mechanisms will lay a solid foundation for rationally designing cavities to modify chemistry. To enhance the general public's interest in chemistry, Dr. Xiong is setting up a food and chemistry YouTube channel to discuss the basic chemistry of food and cooking. Videos will feature scientists cooking food based on their own backgrounds to embrace the diverse culture in our society. While one of the purposes of this activity is to broadcast chemistry through food, something everyone can enjoy, another purpose is to show scientists in real-life settings. Observing scientists in more familiar settings can help motivate young learners to pursue STEM (science, technology, engineering and mathematics) careers and encourage their families to support such aspirations.The goal of this project is to study chemical reactions modified by molecular polaritons to gain new insight into the roles that dark modes and cooperativity play in the reactions. Vibrational strong coupling (VSC) of light and matter occurs when molecular vibrational and photon cavity modes exchange energy faster than the lifetime of both modes. Under VSC, cavity photons and molecular vibrational excitations hybridize to form molecular vibrational polaritons. Recent reports have shown several fascinating examples of how molecular potential energy landscapes and concomitant reaction pathways can be modified under VSC conditions, including modifying reaction branching ratios and enhancing or suppressing chemical reaction rates, making VSC a promising new tool to manipulate chemical reactions. However, there are several challenges in this emerging field. This project focuses on addressing three outstanding challenges by developing an alternative and more direct analytical method to quantify chemistry under VSC; quantifying the reaction performance and polariton/dark mode dynamics to understand the interplay between dark modes and polaritons and how it influences chemistry under VSC; and aiming to understand the role of energy transfer in chemistry under VSC. The main research tools include ultrafast spectroscopy and analytical instruments such as GC-MS (gas chromatography/mass spectrometry). The outcomes of this project include the development of an alternative way to quantify chemistry under VSC and better understanding of the mechanisms of chemistry under VSC. The broader impacts include new design principles for the rational design of VSC conditions to control reactions and influence the field of catalysis, pharmaceutical molecule synthesis, green chemistry, and photochemistry. The team also hosts undergraduate research students from groups that are underrepresented in science, in order to help them become familiar with graduate life and introduce them to cutting-edge research programs in an effort to broaden participation in graduate research.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.
在化学系化学结构,动力学和机制-A(CSDM-A)计划的支持下,Wei Xiong和他在加州大学圣地亚哥分校的团队旨在了解光学腔中一组特定化学反应的机制。当反应物和/或产物在由两个部分反射镜组成的腔中并且高度集中以达到所谓的强耦合状态时,腔中反应的活性和选择性可以不同于腔外的相同反应。这种现象为控制化学反应开辟了一条新途径,并可以通过简单的光学方法对反应工程产生深远的影响。然而,关于支持腔修饰反应的实验观察一直存在争议,并且腔如何修饰反应的分子水平机制仍然不清楚。Xiong博士和他的团队的目标是量化腔中的反应,并通过光谱学了解潜在的机制。对空穴反应的正确描述和机理的理解将为合理设计空穴修饰化学奠定坚实的基础。为了提高公众对化学的兴趣,熊博士正在建立一个食品和化学YouTube频道,讨论食品和烹饪的基本化学。视频将展示科学家根据自己的背景烹饪食物,以拥抱我们社会的多元文化。虽然这项活动的目的之一是通过食物传播化学,每个人都可以享受,另一个目的是在现实生活中展示科学家。在更熟悉的环境中观察科学家有助于激发年轻学习者追求STEM(科学、技术、工程和数学)事业,并鼓励他们的家庭支持这一愿望。本项目的目标是研究分子极化激元修饰的化学反应,以获得对暗模式和协同效应在反应中所起作用的新见解。当分子振动和光子腔模交换能量的速度超过两个模的寿命时,发生光和物质的振动强耦合(VSC)。在VSC下,腔光子和分子振动激发杂交形成分子振动极化激元。最近的报告显示了几个迷人的例子,分子势能景观和伴随的反应途径可以在VSC条件下修改,包括修改反应分支比和提高或抑制化学反应速率,使VSC一个有前途的新工具来操纵化学反应。然而,这一新兴领域存在若干挑战。该项目的重点是通过开发一种替代和更直接的分析方法来解决三个突出的挑战,以量化VSC下的化学;量化反应性能和极化激元/暗模式动力学,以了解暗模式和极化激元之间的相互作用以及它如何影响VSC下的化学;并旨在了解VSC下化学中能量转移的作用。主要研究工具包括超快光谱和分析仪器,如GC-MS(气相色谱/质谱)。该项目的成果包括开发一种替代方法来量化VSC下的化学反应,并更好地了解VSC下的化学反应机制。更广泛的影响包括合理设计VSC条件的新设计原则,以控制反应并影响催化,药物分子合成,绿色化学和光化学领域。该团队还接待来自科学领域代表性不足的团体的本科研究生,帮助他们熟悉研究生生活,并向他们介绍尖端研究项目,以扩大研究生研究的参与度。该奖项反映了NSF的法定使命,并通过使用基金会的智力价值和更广泛的影响审查标准进行评估,被认为值得支持。

项目成果

期刊论文数量(3)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
Cavity-enabled enhancement of ultrafast intramolecular vibrational redistribution over pseudorotation
  • DOI:
    10.1126/science.add0276
  • 发表时间:
    2022-11-18
  • 期刊:
  • 影响因子:
    56.9
  • 作者:
    Chen, Teng-Teng;Du, Matthew;Xiong, Wei
  • 通讯作者:
    Xiong, Wei
Molecular Vibrational Polaritons Towards Quantum Technologies
分子振动极化子走向量子技术
  • DOI:
    10.1002/qute.202100163
  • 发表时间:
    2022
  • 期刊:
  • 影响因子:
    4.4
  • 作者:
    Yang, Zimo;Xiong, Wei
  • 通讯作者:
    Xiong, Wei
Molecular Vibrational Polariton Dynamics: What Can Polaritons Do?
  • DOI:
    10.1021/acs.accounts.2c00796
  • 发表时间:
    2023-04-04
  • 期刊:
  • 影响因子:
    18.3
  • 作者:
    Xiong, Wei
  • 通讯作者:
    Xiong, Wei
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Wei Xiong其他文献

A pseudo-metal-free strategy for constructing high performance photoelectrodes
构建高性能光电极的无伪金属策略
  • DOI:
    10.1039/d0ta01772h
  • 发表时间:
    2020-06
  • 期刊:
  • 影响因子:
    0
  • 作者:
    Wei Xiong;Haipeng Wang;Zhenyu Wang;Fei Huang;Tatiana Dudka;Zhouguang Lu;Yanling Zhao;Ruiqin Zhang
  • 通讯作者:
    Ruiqin Zhang
Coupling spin ensembles via superconducting flux qubits
通过超导通量量子位耦合自旋系综
  • DOI:
  • 发表时间:
    2014
  • 期刊:
  • 影响因子:
    2.9
  • 作者:
    Yueyin Qiu;Wei Xiong;Lin Tian;J. Q. You
  • 通讯作者:
    J. Q. You
Governing public-private partnerships: A systematic review of case study literature
治理公私伙伴关系:案例研究文献的系统回顾
Doppler distortion elimination using short-time sparse singular value decomposition strategy for wayside acoustic source fault diagnosis
采用短时稀疏奇异值分解策略消除多普勒失真的路边声源故障诊断
3D Printing Nano-Architected Semiconductors Based on Versatile and Customizable Metal-Bound Composite Photoresins
基于多功能和可定制金属结合复合光树脂的 3D 打印纳米结构半导体
  • DOI:
    10.1002/admt.202101230
  • 发表时间:
  • 期刊:
  • 影响因子:
    6.8
  • 作者:
    Jingwei Liu;Yuncheng Liu;Chunsan Deng;Kewang Yu;Xuhao Fan;Wenguang Zhang;Yufeng Tao;Huace Hu;Leimin Deng;Wei Xiong
  • 通讯作者:
    Wei Xiong

Wei Xiong的其他文献

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{{ truncateString('Wei Xiong', 18)}}的其他基金

Conference: Strong Coupling with Organic Molecules (SCOM-23)
会议:与有机分子的强耦合(SCOM-23)
  • 批准号:
    2327457
  • 财政年份:
    2023
  • 资助金额:
    $ 50.87万
  • 项目类别:
    Standard Grant
CAREER: Unraveling Fundamental Mechanisms Governing Grain Refinement in Complex Concentrated Alloys Made by Additive Manufacturing Towards Strong and Ductile Structures
职业:揭示增材制造复杂浓缩合金晶粒细化的基本机制,以获得坚固且延展的结构
  • 批准号:
    2047218
  • 财政年份:
    2021
  • 资助金额:
    $ 50.87万
  • 项目类别:
    Standard Grant
Collaborative Research: In Situ Surface Spectroscopy of 2D Material-based Electrocatalysis and Photoelectrocatalysis
合作研究:二维材料电催化和光电催化的原位表面光谱
  • 批准号:
    2012661
  • 财政年份:
    2020
  • 资助金额:
    $ 50.87万
  • 项目类别:
    Standard Grant
CAREER: Coherences and Nonlinear Interactions in Molecular Infrared Polaritons
职业:分子红外极化子的相干性和非线性相互作用
  • 批准号:
    1848215
  • 财政年份:
    2019
  • 资助金额:
    $ 50.87万
  • 项目类别:
    Continuing Grant
MRI: Development of a 100 kHz, Ultrafast Interfacial-Specific Two-Dimensional Vibrational Spectromicroscope
MRI:开发 100 kHz、超快界面特定二维振动光谱显微镜
  • 批准号:
    1828666
  • 财政年份:
    2018
  • 资助金额:
    $ 50.87万
  • 项目类别:
    Standard Grant
Time-Resolved, Electric-Field-Induced Vibrational Spectroscopy for Molecular Conformation Studies
用于分子构象研究的时间分辨电场诱导振动光谱
  • 批准号:
    1808111
  • 财政年份:
    2018
  • 资助金额:
    $ 50.87万
  • 项目类别:
    Standard Grant
Workshop/Collaborative Research: Accelerating NSF Research in Additive Manufacturing toward Industrial Applications; Pittsburgh, Pennsylvania; August 17-18, 2017
研讨会/合作研究:加速 NSF 增材制造研究走向工业应用;
  • 批准号:
    1743007
  • 财政年份:
    2017
  • 资助金额:
    $ 50.87万
  • 项目类别:
    Standard Grant

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  • 批准号:
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Controlling reaction separation function in catalyst particles to achieve freedom from reaction equilibrium constraints
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    23H00243
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