Characterization of crystalline muconic acid polymorphs

Adam J. Zaczek; Timothy M. Korter

doi:10.1109/IRMMW-THz.2017.8067033

Characterization of crystalline muconic acid polymorphs

Research output: Chapter in Book/Entry/Poem › Conference 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 language	English (US)
Title of host publication	2017 42nd International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2017
Publisher	IEEE Computer Society
ISBN (Electronic)	9781509060481
DOIs	https://doi.org/10.1109/IRMMW-THz.2017.8067033
State	Published - Oct 12 2017
Event	42nd International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2017 - Cancun, Quintana Roo, Mexico Duration: Aug 27 2017 → Sep 1 2017

Publication series

Name	International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz
ISSN (Print)	2162-2027
ISSN (Electronic)	2162-2035

Other

Other	42nd International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2017
Country/Territory	Mexico
City	Cancun, Quintana Roo
Period	8/27/17 → 9/1/17

ASJC Scopus subject areas

Energy Engineering and Power Technology
Electrical and Electronic Engineering

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10.1109/IRMMW-THz.2017.8067033

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Characterization of crystalline muconic acid polymorphs. / Zaczek, Adam J.; Korter, Timothy M.
2017 42nd International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2017. IEEE Computer Society, 2017. 8067033 (International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz).

Research output: Chapter in Book/Entry/Poem › Conference 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, International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz, 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

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title = "Characterization of crystalline muconic acid polymorphs",

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.",

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T1 - Characterization of crystalline muconic acid polymorphs

AU - Zaczek, Adam J.

AU - Korter, Timothy M.

PY - 2017/10/12

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N2 - 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.

AB - 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.

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AN - SCOPUS:85033703292

T3 - International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz

BT - 2017 42nd International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2017

PB - IEEE Computer Society

T2 - 42nd International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2017

Y2 - 27 August 2017 through 1 September 2017

ER -

Characterization of crystalline muconic acid polymorphs

Abstract

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