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Award Abstract # 2019072
MRI: Development of a Broadband Spectrometer with Multiple Antenna Detection and Chiral Coherent Quantum Control for Rotational Spectroscopy

NSF Org: CHE
Division Of Chemistry
Recipient: UNIVERSITY OF MISSOURI SYSTEM
Initial Amendment Date: July 18, 2020
Latest Amendment Date: January 30, 2024
Award Number: 2019072
Award Instrument: Standard Grant
Program Manager: Michael C. Greenlief
mgreenli@nsf.gov
 (703)292-4446
CHE
 Division Of Chemistry
MPS
 Directorate for Mathematical and Physical Sciences
Start Date: August 1, 2020
End Date: July 31, 2025 (Estimated)
Total Intended Award Amount: $1,500,000.00
Total Awarded Amount to Date: $1,500,000.00
Funds Obligated to Date: FY 2020 = $1,500,000.00
History of Investigator:
  • Garry Grubbs (Principal Investigator)
    grubbsg@mst.edu
  • Kristen Donnell (Co-Principal Investigator)
Recipient Sponsored Research Office: Missouri University of Science and Technology
300 W. 12TH STREET
ROLLA
MO  US  65409-1330
(573)341-4134
Sponsor Congressional District: 08
Primary Place of Performance: Missouri University of Science and Technology
Rolla
MO  US  65409-6506
Primary Place of Performance
Congressional District:
08
Unique Entity Identifier (UEI): Y6MGH342N169
Parent UEI:
NSF Program(s): Major Research Instrumentation,
Chemical Instrumentation,
Chemical Measurement & Imaging
Primary Program Source: 01002021DB NSF RESEARCH & RELATED ACTIVIT
Program Reference Code(s): 1189, 9150
Program Element Code(s): 118900, 193800, 688000
Award Agency Code: 4900
Fund Agency Code: 4900
Assistance Listing Number(s): 47.049

ABSTRACT

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.

PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH

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Duerden, Amanda and Marshall, Frank E. and Moon, Nicole and Swanson, Christian and Donnell, Kristen M. and Grubbs II, G.S. "A chirped pulse Fourier transform microwave spectrometer with multi-antenna detection" Journal of Molecular Spectroscopy , 2020 https://doi.org/10.1016/j.jms.2020.111396 Citation Details
Duerden, Amanda and Moon, Nicole and Grubbs, G. S. "Low-Cost, Balle-Flygare-Type Cavity Fourier Transform Microwave Spectrometer and Pure Rotational Spectroscopy Laboratory for Teaching Physical Chemistry and Astronomy" Journal of Chemical Education , v.98 , 2021 https://doi.org/10.1021/acs.jchemed.0c00934 Citation Details
Licaj, Lucas and Moon, Nicole and Grubbs II, Garry S. and Guirgis, Gamil A. and Seifert, Nathan A. "Broadband microwave spectroscopy of cyclopentylsilane and 1,1,1-trifluorocyclopentylsilane" Journal of Molecular Spectroscopy , v.390 , 2022 https://doi.org/10.1016/j.jms.2022.111698 Citation Details
Mayer, Kevin and West, Channing and Marshall, Frank and Sedo, G and Grubbs II, Smitty and Evangelisti, Luca and Pate, Brooks "Accuracy of Quantum Chemistry Structures of Chiral Tag Complexes and the Assignment of Absolute Configuration" PCCP Physical chemistry chemical physics , v.24 , 2022 https://doi.org/10.1039/D2CP04060C Citation Details
McFadden, Thomas M. and Moon, Nicole and Marshall, Frank E. and Duerden, Amanda J. and Ocola, Esther J. and Laane, Jaan and Guirgis, Gamil A. and Grubbs, G. S. "The molecular structure and curious motions in 1,1-difluorosilacyclopent-3-ene and silacyclopent-3-ene as determined by microwave spectroscopy and quantum chemical calculations" Physical Chemistry Chemical Physics , v.24 , 2022 https://doi.org/10.1039/d1cp04286f Citation Details
Moon, Nicole T. and Marshall, Frank E. and McFadden, Thomas M.C. and Ocola, Esther J. and Laane, Jaan and Guirgis, Gamil A. and Grubbs, Garry S. "Pure rotational spectrum and structural determination of 1,1-difluoro-1-silacyclopentane" Journal of Molecular Structure , v.1249 , 2022 https://doi.org/10.1016/j.molstruc.2021.131563 Citation Details
Moon, Nicole T. and Woelk, Klaus and Grubbs, Garry S. "Construction and Demonstration of a 618 GHz Microwave Three-Wave Mixing Experiment Using Multiple Synchronized Arbitrary Waveform Generators" Symmetry , v.14 , 2022 https://doi.org/10.3390/sym14050848 Citation Details
Pulliam, Tiara and Marshall, Frank E. and Carrigan-Broda, Theodore and Hickman, Daniel V. and Guirgis, Gamil and Grubbs, G.S. "The chirped pulse, Fourier transform microwave spectrum of 1-chloromethyl-1-fluorosilacyclopentane" Journal of Molecular Spectroscopy , v.395 , 2023 https://doi.org/10.1016/j.jms.2023.111793 Citation Details
Sedo, Galen and Duerden, Amanda and Marshall, Frank E. and Moon, Nicole T. and Grubbs, Garry S "Microwave spectra of two conformers of the (1R)-()-nopol monomer" Journal of Molecular Spectroscopy , v.389 , 2022 https://doi.org/10.1016/j.jms.2022.111705 Citation Details

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