New methods for linear and nonlinear Spectroscopy in inhomogeneous electromagnetic fields

非均匀电磁场中线性和非线性光谱学的新方法

• 批准号: 1856419
• 负责人: Lasse Jensen
• 金额: $ 45.67万
• 依托单位: Pennsylvania State Univ University Park
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2019
• 资助国家: 美国
• 起止时间: 2019-07-01 至 2023-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1856419&HistoricalAwards=false
• 关键词: New; methods; linear; nonlinear; Spectroscopy

Lasse Jensen of the Pennsylvania State University is supported by an award from the Chemical Theory, Models and Computational Methods program in the Division of Chemistry to develop theoretical tools for describing molecules situated in very small gaps between metal nanoparticles. Under these conditions the interactions between light and the molecule is complicated due to the strong confinement of light in the gap. The emphasis of this project is to understand how molecules are altered due to the confinement of light. The studies may provide an understanding of how molecules organize at metallic interfaces with applications in catalysis, energy conversion and trace molecule detection. Professor Jensen develops new computational tools to describe techniques that measure molecular interactions with light. These tools are disseminated to the broad scientific community through incorporation into available computational chemistry software packages. Using interactive nano-optics simulators, Professor Jensen educates high school, undergraduate and graduate students on the differences between our macroscopic world and the nanoscale. Professor Jensen is developing a multiscale model to describe the spectroscopy of molecules in highly inhomogeneous electromagnetic fields in plasmonic junctions. His goal is to understand the spectroscopy of molecules in highly confined fields where the selection rules known from traditional far-field spectroscopy breaks down. Such computational tools provide the microscopic understanding of how these highly confined fields modify the molecular response and how fluctuations in the local environment influences the response. Using this multiscale model, Professor Jensen and coworkers investigate how the response properties of molecules are affected by a spatially confined electromagnetic fields, the specific details of the junction, and the coupling to nearby molecules. This is essential for understanding how the confined electromagnetic fields influence the molecular properties and ultimately its chemistry.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.

宾夕法尼亚州立大学的Lasse詹森获得了化学系化学理论、模型和计算方法项目的一项奖励，以开发用于描述位于金属纳米颗粒之间非常小的间隙中的分子的理论工具。在这些条件下，由于光在差距中的强限制，光与分子之间的相互作用是复杂的。这个项目的重点是了解分子是如何改变由于光的限制。 这些研究有助于理解分子在金属界面上的组织方式，并可应用于催化、能量转换和痕量分子检测。詹森教授开发了新的计算工具来描述测量分子与光相互作用的技术。 通过将这些工具纳入现有的计算化学软件包，向广大科学界传播。使用互动纳米光学模拟器，教授詹森教育高中，本科和研究生之间的差异，我们的宏观世界和纳米。詹森教授正在开发一个多尺度模型来描述等离子体结中高度不均匀电磁场中分子的光谱。他的目标是了解分子在高度受限的领域中的光谱学，在这些领域中，传统远场光谱学的选择规则被打破。这种计算工具提供了微观的理解，这些高度受限的领域如何修改分子的反应，以及如何在局部环境的波动影响的反应。使用这个多尺度模型，詹森教授和同事们研究了分子的响应特性如何受到空间限制的电磁场，结的具体细节以及与附近分子的耦合的影响。这对于理解受限电磁场如何影响分子性质以及最终影响其化学性质至关重要。该奖项反映了NSF的法定使命，并通过使用基金会的知识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

Surface-enhanced hyper-Raman scattering of Rhodamine 6G isotopologues: Assignment of lower vibrational frequencies

罗丹明 6G 同位素体的表面增强超拉曼散射：较低振动频率的分配

• DOI: 10.1063/5.0031679
• 发表时间: 2021
• 期刊: The Journal of Chemical Physics
• 作者: Olson, Jacob E.;Hu, Zhongwei;Best, Michael D.;Jensen, Lasse;Camden, Jon P.
• 通讯作者: Camden, Jon P.

A discrete interaction model/quantum mechanical method for simulating surface-enhanced Raman spectroscopy in solution

• DOI: 10.1063/5.0051256
• 发表时间: 2021-06-14
• 期刊: JOURNAL OF CHEMICAL PHYSICS
• 影响因子: 4.4
• 作者: Becca, Jeffrey C.;Chen, Xing;Jensen, Lasse
• 通讯作者: Jensen, Lasse

Comparison of thermoresponsive Diels-Alder linkers for the release of payloads from magnetic nanoparticles via hysteretic heating

• DOI: 10.1016/j.jciso.2021.100034
• 发表时间: 2021-11
• 期刊: JCIS Open
• 作者: J. H. Arrizabalaga;Jonathan S Casey;Jeffrey C. Becca;Lasse Jensen;D. Hayes

Reactivity variance between stereoisomers of saturated N-heterocyclic carbenes on gold surfaces

• DOI: 10.1039/d3qi01541f
• 发表时间: 2023-09-26
• 期刊: INORGANIC CHEMISTRY FRONTIERS
• 影响因子: 7
• 作者: Kaur，Gurkiran;Dominique，Nathaniel L.;Jenkins，David M.
• 通讯作者: Jenkins，David M.