Characterization of crystalline muconic acid polymorphs

Adam J. Zaczek, Timothy Michael Korter

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Muconic acid is known to exhibit three isomeric forms, but the cis-trans isomer is largely uncharacterized. Using a combination of X-ray diffraction, solid-state density functional theory, and terahertz spectroscopy, a detailed solid-state structural investigation was performed for cis-trans muconic acid. Two crystalline polymorphs were discovered during this study through their distinct terahertz spectra. Terahertz data also revealed a muconic acid hydrate species present in the bulk samples that is related to the relative stabilities of the two polymorphs. Overall, the measurements and simulations provide new knowledge concerning the isomerization mechanisms of muconic acid.

Original languageEnglish (US)
Title of host publication2017 42nd International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2017
PublisherIEEE Computer Society
ISBN (Electronic)9781509060481
DOIs
StatePublished - Oct 12 2017
Event42nd International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2017 - Cancun, Quintana Roo, Mexico
Duration: Aug 27 2017Sep 1 2017

Other

Other42nd International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2017
CountryMexico
CityCancun, Quintana Roo
Period8/27/179/1/17

Fingerprint

Polymorphism
Crystalline materials
Acids
Terahertz spectroscopy
Isomerization
Hydrates
Isomers
Density functional theory
X ray diffraction

ASJC Scopus subject areas

  • Energy Engineering and Power Technology
  • Electrical and Electronic Engineering

Cite this

Zaczek, A. J., & Korter, T. M. (2017). Characterization of crystalline muconic acid polymorphs. In 2017 42nd International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2017 [8067033] IEEE Computer Society. https://doi.org/10.1109/IRMMW-THz.2017.8067033

Characterization of crystalline muconic acid polymorphs. / Zaczek, Adam J.; Korter, Timothy Michael.

2017 42nd International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2017. IEEE Computer Society, 2017. 8067033.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Zaczek, AJ & Korter, TM 2017, Characterization of crystalline muconic acid polymorphs. in 2017 42nd International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2017., 8067033, IEEE Computer Society, 42nd International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2017, Cancun, Quintana Roo, Mexico, 8/27/17. https://doi.org/10.1109/IRMMW-THz.2017.8067033
Zaczek AJ, Korter TM. Characterization of crystalline muconic acid polymorphs. In 2017 42nd International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2017. IEEE Computer Society. 2017. 8067033 https://doi.org/10.1109/IRMMW-THz.2017.8067033
Zaczek, Adam J. ; Korter, Timothy Michael. / Characterization of crystalline muconic acid polymorphs. 2017 42nd International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2017. IEEE Computer Society, 2017.
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