Terahertz Spectroscopy and Quantum Mechanical Simulations of Crystalline Historical Pigments

Elyse M. Kleist; Corinna L.Koch Dandolo; Timothy M. Korter; Patrick Mounaix

doi:10.1109/IRMMW-THz.2018.8510333

Terahertz Spectroscopy and Quantum Mechanical Simulations of Crystalline Historical Pigments

Elyse M. Kleist, Corinna L.Koch Dandolo, Timothy M. Korter, Patrick Mounaix

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Abstract

Terahertz spectroscopy is an excellent tool for the nondestructive and non-invasive investigation of pigments in historical and art objects. The characteristic terahertz spectra of solid azurite, malachite, and verdigris are presented here, along with fully quantum mechanical simulations of their crystalline structures and lattice vibrations. The powerful combination of theory and experiment enables unambiguous spectral assignments to be made in these complex materials, which allows for the improved construction of reference pigment databases.

Original language	English (US)
Title of host publication	2018 43rd International Conference on Infrared Millimeter and Terahertz Waves, IRMMW-THz 2018
Publisher	IEEE Computer Society
ISBN (Electronic)	9781538638095
DOIs	https://doi.org/10.1109/IRMMW-THz.2018.8510333
State	Published - Oct 25 2018
Event	43rd International Conference on Infrared Millimeter and Terahertz Waves, IRMMW-THz 2018 - Nagoya, Japan Duration: Sep 9 2018 → Sep 14 2018

Publication series

Name	International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz
Volume	2018-September
ISSN (Print)	2162-2027
ISSN (Electronic)	2162-2035

Other

Other	43rd International Conference on Infrared Millimeter and Terahertz Waves, IRMMW-THz 2018
Country	Japan
City	Nagoya
Period	9/9/18 → 9/14/18

ASJC Scopus subject areas

Energy Engineering and Power Technology
Electrical and Electronic Engineering

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10.1109/IRMMW-THz.2018.8510333

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Kleist, E. M., Dandolo, C. L. K., Korter, T. M., & Mounaix, P. (2018). Terahertz Spectroscopy and Quantum Mechanical Simulations of Crystalline Historical Pigments. In 2018 43rd International Conference on Infrared Millimeter and Terahertz Waves, IRMMW-THz 2018 [8510333] (International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz; Vol. 2018-September). IEEE Computer Society. https://doi.org/10.1109/IRMMW-THz.2018.8510333

Terahertz Spectroscopy and Quantum Mechanical Simulations of Crystalline Historical Pigments. / Kleist, Elyse M.; Dandolo, Corinna L.Koch; Korter, Timothy M.; Mounaix, Patrick.

2018 43rd International Conference on Infrared Millimeter and Terahertz Waves, IRMMW-THz 2018. IEEE Computer Society, 2018. 8510333 (International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz; Vol. 2018-September).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Kleist, EM, Dandolo, CLK, Korter, TM & Mounaix, P 2018, Terahertz Spectroscopy and Quantum Mechanical Simulations of Crystalline Historical Pigments. in 2018 43rd International Conference on Infrared Millimeter and Terahertz Waves, IRMMW-THz 2018., 8510333, International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz, vol. 2018-September, IEEE Computer Society, 43rd International Conference on Infrared Millimeter and Terahertz Waves, IRMMW-THz 2018, Nagoya, Japan, 9/9/18. https://doi.org/10.1109/IRMMW-THz.2018.8510333

Kleist EM, Dandolo CLK, Korter TM, Mounaix P. Terahertz Spectroscopy and Quantum Mechanical Simulations of Crystalline Historical Pigments. In 2018 43rd International Conference on Infrared Millimeter and Terahertz Waves, IRMMW-THz 2018. IEEE Computer Society. 2018. 8510333. (International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz). https://doi.org/10.1109/IRMMW-THz.2018.8510333

Kleist, Elyse M. ; Dandolo, Corinna L.Koch ; Korter, Timothy M. ; Mounaix, Patrick. / Terahertz Spectroscopy and Quantum Mechanical Simulations of Crystalline Historical Pigments. 2018 43rd International Conference on Infrared Millimeter and Terahertz Waves, IRMMW-THz 2018. IEEE Computer Society, 2018. (International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz).

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abstract = "Terahertz spectroscopy is an excellent tool for the nondestructive and non-invasive investigation of pigments in historical and art objects. The characteristic terahertz spectra of solid azurite, malachite, and verdigris are presented here, along with fully quantum mechanical simulations of their crystalline structures and lattice vibrations. The powerful combination of theory and experiment enables unambiguous spectral assignments to be made in these complex materials, which allows for the improved construction of reference pigment databases.",

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note = "Funding Information: ACKNOWLEDGEMENTS E.M.K. and T.M.K. thank Syracuse University for providing computational resources. C.L.K.D. acknowledges with gratitude, the Swiss National Science Foundation (grant SNSF, P2SKP2_16321 / 1). Publisher Copyright: {\textcopyright} 2018 IEEE.; 43rd International Conference on Infrared Millimeter and Terahertz Waves, IRMMW-THz 2018 ; Conference date: 09-09-2018 Through 14-09-2018",

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AB - Terahertz spectroscopy is an excellent tool for the nondestructive and non-invasive investigation of pigments in historical and art objects. The characteristic terahertz spectra of solid azurite, malachite, and verdigris are presented here, along with fully quantum mechanical simulations of their crystalline structures and lattice vibrations. The powerful combination of theory and experiment enables unambiguous spectral assignments to be made in these complex materials, which allows for the improved construction of reference pigment databases.

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Terahertz Spectroscopy and Quantum Mechanical Simulations of Crystalline Historical Pigments

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