MRI: Development of a Broadband Spectrometer with Multiple Antenna Detection and Chiral Coherent Quantum Control for Rotational Spectroscopy

MRI：开发具有多天线检测和手性相干量子控制的旋转光谱宽带光谱仪

• 批准号: 2019072
• 负责人: Garry Grubbs
• 金额: $ 150万
• 依托单位: Missouri University of Science and Technology
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2020
• 资助国家: 美国
• 起止时间: 2020-08-01 至 2024-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2019072&HistoricalAwards=false
• 关键词: MRI; Development; Broadband; Spectrometer; Multiple

This award is supported by the Major Research Instrumentation, the Chemistry Research Instrumentation and the Chemical Measurement and Imaging programs. Professors Garry Grubbs II and Kristen Donnell of Missouri S&T, along with collaborators Stephen Cooke of SUNY-Purchase, Paul Raston of James Madison University, and Galen Sedo of the University of Virginia’s College at Wise, are developing a state-of-the-art Chirped Pulse Fourier Transform Microwave (CP-FTMW) spectrometer. This instrument is utilized in the collection of rotational spectra for gas phase molecules. Rotational spectra provide some of the most detailed information available about the structure of molecules. This multi-user spectrometer offers a significant increase in sensitivity and sourcing capabilities for research in a variety of fundamental gas phase physical chemistry and chemical physics fields. Moreover, this instrument promotes discovery and the progress of science in the areas of laboratory measurements of interstellar detection, experimental benchmarking for newly synthesized materials, gas phase molecular interactions, absolute molecular structure determinations inclusive of chirality, and actinide-element chemistry, among others. The development of the instrument also establishes a pipeline program for chemistry students of the primarily undergraduate and Hispanic Serving Institution, University of Texas-Rio Grande Valley, to apply for the Missouri S&T Chemistry PhD program, thereby supporting diversity in the sciences. In addition, this award supports training for undergraduate students and graduate students from underrepresented groups, and facilitates training and mentorship for postdoctoral fellows. The postdocs and student researchers have frequent opportunities to interact with senior researchers and other students in chemistry and physics, providing both networking opportunities and an enriched learning environment for next generation of scientists.A new, state-of-the-art instrument for gas phase molecular structure rotational spectroscopy measurements is being developed. This instrument possesses both Chirped Pulse Fourier Transform Microwave (CP-FTMW, relative structure for bond lengths and angles) and microwave three-wave mixing (M3WM, absolute structure for chirality) capabilities. The instrument implements a state-of-the-art approach of multiple-antennae detection, along with multiple sample introduction nozzles, to increase instrument sensitivity. The nozzles are supersonic molecular beam sampling systems that possess heated laser ablation capabilities, and direct current discharge capability for the investigation of many chemical problems associated with exotic/unstable or nonvolatile species. The degree of system improvement particularly of the novel multiple-antennae detection approach is being studied and quantified as part of this research. The scientific advancements offered by the new instrument enable research from a group of users known as the Midwest Microwave Consortium (MWMC) - a group of nine mostly primarily undergraduate universities that share time on and participate in the development of the instrument. The final, commissioned instrument features remote access, control, and scheduling through a website, allowing both national and international scientific community access throughout its lifetime.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.

该奖项得到了主要研究仪器、化学研究仪器以及化学测量和成像项目的支持。密苏里科技大学的 Garry Grubbs II 和 Kristen Donnell 教授，以及纽约州立大学采购学院的 Stephen Cooke、詹姆斯麦迪逊大学的 Paul Raston 和弗吉尼亚大学怀斯学院的 Galen Sedo 等合作者，正在开发一种最先进的啁啾脉冲傅里叶变换微波 (CP-FTMW) 光谱仪。该仪器用于收集气相分子的旋转光谱。旋转光谱提供了一些有关分子结构的最详细的信息。这款多用户光谱仪显着提高了灵敏度和来源能力，适用于各种基础气相物理化学和化学物理领域的研究。此外，该仪器还促进了星际探测实验室测量、新合成材料的实验基准、气相分子相互作用、包括手性的绝对分子结构测定和锕系元素化学等领域的发现和科学进步。该仪器的开发还为德克萨斯大学里奥格兰德河谷分校的主要本科生和西班牙裔服务机构的化学学生建立了一个管道计划，以申请密苏里州科技化学博士计划，从而支持科学的多样性。此外，该奖项还支持对代表性不足群体的本科生和研究生的培训，并促进对博士后研究员的培训和指导。博士后和学生研究人员经常有机会与化学和物理领域的高级研究人员和其他学生互动，为下一代科学家提供交流机会和丰富的学习环境。一种用于气相分子结构旋转光谱测量的新型、最先进的仪器正在开发中。该仪器同时具备啁啾脉冲傅立叶变换微波（CP-FTMW，键长和角度的相对结构）和微波三波混频（M3WM，手性绝对结构）功能。该仪器采用最先进的多天线检测方法以及多个样品引入喷嘴，以提高仪器灵敏度。喷嘴是超音速分子束采样系统，具有加热激光烧蚀能力和直流放电能力，用于研究与外来/不稳定或非挥发性物质相关的许多化学问题。作为本研究的一部分，正在研究和量化系统改进程度，特别是新颖的多天线检测方法。新仪器所带来的科学进步使得中西部微波联盟 (MWMC) 的用户组能够进行研究，该联盟由九所大学组成，主要是本科生大学，他们共享时间并参与该仪器的开发。最终的委托仪器具有通过网站进行远程访问、控制和调度的功能，允许国内和国际科学界在其整个生命周期内访问。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

Construction and Demonstration of a 6–18 GHz Microwave Three-Wave Mixing Experiment Using Multiple Synchronized Arbitrary Waveform Generators

使用多个同步任意波形发生器构建和演示 6-18 GHz 微波三波混频实验

• DOI: 10.3390/sym14050848
• 发表时间: 2022
• 期刊: Symmetry
• 作者: Moon, Nicole T.;Woelk, Klaus;Grubbs, Garry S.
• 通讯作者: Grubbs, Garry S.

Microwave spectra of two conformers of the (1R)-(–)-nopol monomer

(1R)-(-)-nopol单体的两种构象异构体的微波谱

• DOI: 10.1016/j.jms.2022.111705
• 发表时间: 2022
• 期刊: Journal of Molecular Spectroscopy
• 影响因子: 1.4
• 作者: Sedo, Galen;Duerden, Amanda;Marshall, Frank E.;Moon, Nicole T.;Grubbs, Garry S
• 通讯作者: Grubbs, Garry S

Accuracy of quantum chemistry structures of chiral tag complexes and the assignment of absolute configuration

• DOI: 10.1039/d2cp04060c
• 发表时间: 2022-11-09
• 期刊: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
• 影响因子: 3.3
• 作者: Mayer，Kevin;West，Channing;Pate，Brooks H.
• 通讯作者: Pate，Brooks H.

Pure rotational spectrum and structural determination of 1,1-difluoro-1-silacyclopentane

1,1-二氟-1-硅杂环戊烷的纯旋转光谱和结构测定

• DOI: 10.1016/j.molstruc.2021.131563
• 发表时间: 2022
• 期刊: Journal of Molecular Structure
• 影响因子: 3.8
• 作者: Moon, Nicole T.;Marshall, Frank E.;McFadden, Thomas M.C.;Ocola, Esther J.;Laane, Jaan;Guirgis, Gamil A.;Grubbs, Garry S.
• 通讯作者: Grubbs, Garry S.

Low-Cost, Balle-Flygare-Type Cavity Fourier Transform Microwave Spectrometer and Pure Rotational Spectroscopy Laboratory for Teaching Physical Chemistry and Astronomy

用于物理化学和天文学教学的低成本 Balle-Flygare 型腔体傅里叶变换微波光谱仪和纯旋转光谱实验室

• DOI: 10.1021/acs.jchemed.0c00934
• 发表时间: 2021
• 期刊: Journal of Chemical Education
• 影响因子: 3
• 作者: Duerden, Amanda;Moon, Nicole;Grubbs, G. S.
• 通讯作者: Grubbs, G. S.