Award Abstract # 1213560
RUI: Low Frequency Microwave Spectroscopy of van der Waals Complexes

NSF Org: CHE
Division Of Chemistry
Recipient: COKER UNIVERSITY
Initial Amendment Date: August 27, 2012
Latest Amendment Date: August 27, 2012
Award Number: 1213560
Award Instrument: Standard Grant
Program Manager: Kelsey Cook
CHE
 Division Of Chemistry
MPS
 Directorate for Mathematical and Physical Sciences
Start Date: September 1, 2012
End Date: August 31, 2016 (Estimated)
Total Intended Award Amount: $144,213.00
Total Awarded Amount to Date: $144,213.00
Funds Obligated to Date: FY 2012 = $144,213.00
History of Investigator:
  • Gordon Brown (Principal Investigator)
    gbrown@coker.edu
Recipient Sponsored Research Office: Coker College
300 E COLLEGE AVE
HARTSVILLE
SC  US  29550-3742
(843)383-8000
Sponsor Congressional District: 07
Primary Place of Performance: Coker College
300 E College Ave
Hartsville
SC  US  29550-3742
Primary Place of Performance
Congressional District:
07
Unique Entity Identifier (UEI): H9EECRX4W6S5
Parent UEI:
NSF Program(s): Chemical Measurement & Imaging
Primary Program Source: 01001213DB NSF RESEARCH & RELATED ACTIVIT
Program Reference Code(s): 1389, 9150, 9161, 9229, AMPP
Program Element Code(s): 688000
Award Agency Code: 4900
Fund Agency Code: 4900
Assistance Listing Number(s): 47.049

ABSTRACT

In this award, funded by the Chemical Measurement and Imaging Program of the Division of Chemistry, Professor Gordon Brown of Coker College and his undergraduate student researchers will be supported to study the intermolecular bonding in: (1) van der Waals complexes between carbon dioxide and nitrogen heterocycles and (2) complexes between halogen-containing small molecules and Lewis bases. The researchers will study these species with chirped-pulse Fourier transform microwave spectroscopy.

Microwave spectroscopy is an important physical chemical method that gives precise information about molecular geometry and binding. The classes of species that Professor Brown and his students will study will provide information on potential carbon-capture/storage materials as well as fundamental information about the intermolecular interactions between halogen-containing species. The undergraduate students working on this project will gain useful experience in conducting physical chemical research with state-of-the-art equipment, and will be well-prepared for further study in the chemical sciences.

PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH

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Caroline C. Womack, Marie-Aline Martin-Drumel, Gordon G. Brown, Robert W. Field, Michael C. McCarthy "Observation of the simplest Criegee intermediate CH2OO in the gas-phase ozonolysis of ethylene" Science Advances , v.1 , 2015 , p.e1400105 DOI: 10.1126/sciadv.1400105DOI: 10.1126/sciadv.1400105
Kyle N. Crabtree, Marie-Aline Martin-Drumel, Gordon G. Brown, Sydney A. Gaster,Taylor M. Hall, and Michael C. McCarthy "Microwave spectral taxonomy: A semi-automated combination of chirped-pulse and cavity Fourier-transform microwave spectroscopy" The Journal of Chemical Physics , v.144 , 2016 , p.124201 http://dx.doi.org/10.1063/1.4944072
M. A. Martin-Drumel, A. Roucou, G. G. Brown, S. Thorwirth, O. Pirali, G. Mouret,F. Hindle, M. C. McCarthy, and A. Cuisset "High resolution spectroscopy of six SOCl2 isotopologues from the microwave to the far-infrared" The Journal of Chemical Physics , v.144 , 2016 , p.084305 http://dx.doi.org/10.1063/1.4942024
Miranda Smith, Brandon D. Short, April M. Ruthven, K. Michelle Thomas, Michael J. Hang, Gordon G. Brown "Chirped-pulse microwave spectrum and ab initio calculations of four distinct conformers of 3-vinylbenzaldehyde" Journal of Molecular Spectroscopy , v.307 , 2015 , p.49 doi:10.1016/j.jms.2014.12.014

PROJECT OUTCOMES REPORT

Disclaimer

This Project Outcomes Report for the General Public is displayed verbatim as submitted by the Principal Investigator (PI) for this award. Any opinions, findings, and conclusions or recommendations expressed in this Report are those of the PI and do not necessarily reflect the views of the National Science Foundation; NSF has not approved or endorsed its content.

In this project, microwave spectroscopy was used to study interactions between carbon dioxide and a variety of chemicals. This research will guide the design of the next generation of materials used for carbon capture and storage (CCS). Microwave spectroscopy is capable of measuring very precise geometries (bond lengths and bond angles) of molecules as well as measuring the forces that hold them together. This information can be valuable in understanding interactions between carbon dioxide and the active sites in CCS materials. This project was successful in measuring and analyzing the interactions of carbon dioxide with a series of related nitrogen-containing organic compounds.

A second outcome of this project was the design and construction of a low-cost, low-frequency microwave spectrometer. The design modified the state-of-the-art low-frequency spectrometer in the field to make it much less expensive, thus making it suitable for use at a small, primarily-undergraduate institution. 

The third outcome of this project was the training of undergraduate students in the field of microwave spectroscopy, and more generally, in the field of scientific exploration. The students at our institution were trained to perform experiments, construct and troubleshoot complex instrumentation, analyze data, and present results and analysis of experiments at regional, national, and international conferences. Students involved in this project have gone on to attend universities in pursuit of advanced degrees. Other students have obtained jobs working in chemistry laboratories for private companies.


Last Modified: 10/04/2016
Modified by: Gordon Brown

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