Broadband multi-resonant strong field coherence breaking as a tool for single isomer microwave spectroscopy
Abstract
Using standard hardware available in chirped-pulse Fourier transform microwave (CP-FTMW) spectroscopy, an experimental method is introduced to selectively extract from the microwave spectrum of an otherwise complicated multicomponent mixture a set of transitions due to a single component, thereby speeding spectral assignment. The method operates the broadband chirped-pulse used to excite the sample in the strong-field limit through a combination of high power and control of the sweep rate. A procedure is introduced that leads to selection of three transition frequencies that can be incorporated as a set of resonant sequential single-frequency microwave pulses that follow broadband chirped-pulse excitation, resulting in a reduction in the coherent signal from a set of transitions ascribable to the component of interest. The difference in the CP-FTMW spectrum with and without this set of multi-resonant single-frequency pulses produces a set of transitions that can confidently be assigned to a single component of the mixture, aiding the analysis of its spectrum. In conclusion, the scheme is applied to (i) selectively extract the spectrum of one of five singly 13C-subsituted isotopologues of benzonitrile in natural abundance, (ii) obtain the microwave spectra of the two structural isomers (E)- and (Z)-phenylvinylnitrile, and (iii) obtain conformer-specific microwave spectra ofmore »
- Authors:
-
- Purdue Univ., West Lafayette, IN (United States). Dept. of Chemistry
- Publication Date:
- Research Org.:
- Purdue Univ., West Lafayette, IN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1467887
- Alternate Identifier(s):
- OSTI ID: 1325601
- Grant/Contract Number:
- FG02-96ER14656; PRF #55152-ND6
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Chemical Physics
- Additional Journal Information:
- Journal Volume: 145; Journal Issue: 11; Journal ID: ISSN 0021-9606
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Hernandez-Castillo, A. O., Abeysekera, Chamara, Hays, Brian M., and Zwier, Timothy S. Broadband multi-resonant strong field coherence breaking as a tool for single isomer microwave spectroscopy. United States: N. p., 2016.
Web. doi:10.1063/1.4962505.
Hernandez-Castillo, A. O., Abeysekera, Chamara, Hays, Brian M., & Zwier, Timothy S. Broadband multi-resonant strong field coherence breaking as a tool for single isomer microwave spectroscopy. United States. https://doi.org/10.1063/1.4962505
Hernandez-Castillo, A. O., Abeysekera, Chamara, Hays, Brian M., and Zwier, Timothy S. Tue .
"Broadband multi-resonant strong field coherence breaking as a tool for single isomer microwave spectroscopy". United States. https://doi.org/10.1063/1.4962505. https://www.osti.gov/servlets/purl/1467887.
@article{osti_1467887,
title = {Broadband multi-resonant strong field coherence breaking as a tool for single isomer microwave spectroscopy},
author = {Hernandez-Castillo, A. O. and Abeysekera, Chamara and Hays, Brian M. and Zwier, Timothy S.},
abstractNote = {Using standard hardware available in chirped-pulse Fourier transform microwave (CP-FTMW) spectroscopy, an experimental method is introduced to selectively extract from the microwave spectrum of an otherwise complicated multicomponent mixture a set of transitions due to a single component, thereby speeding spectral assignment. The method operates the broadband chirped-pulse used to excite the sample in the strong-field limit through a combination of high power and control of the sweep rate. A procedure is introduced that leads to selection of three transition frequencies that can be incorporated as a set of resonant sequential single-frequency microwave pulses that follow broadband chirped-pulse excitation, resulting in a reduction in the coherent signal from a set of transitions ascribable to the component of interest. The difference in the CP-FTMW spectrum with and without this set of multi-resonant single-frequency pulses produces a set of transitions that can confidently be assigned to a single component of the mixture, aiding the analysis of its spectrum. In conclusion, the scheme is applied to (i) selectively extract the spectrum of one of five singly 13C-subsituted isotopologues of benzonitrile in natural abundance, (ii) obtain the microwave spectra of the two structural isomers (E)- and (Z)-phenylvinylnitrile, and (iii) obtain conformer-specific microwave spectra of methylbutyrate.},
doi = {10.1063/1.4962505},
journal = {Journal of Chemical Physics},
number = 11,
volume = 145,
place = {United States},
year = {Tue Sep 20 00:00:00 EDT 2016},
month = {Tue Sep 20 00:00:00 EDT 2016}
}
Web of Science
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