Terahertz Spectroscopy and Quantum Mechanical Simulations of Crystalline Historical Pigments

被引:0
|
作者
Kleist, Elyse M. [1 ]
Dandolo, Corinna L. Koch [2 ,3 ]
Korter, Timothy M. [1 ]
Mounaix, Patrick [2 ]
机构
[1] Syracuse Univ, Dept Chem, Syracuse, NY 13244 USA
[2] Univ Bordeaux, UMR CNRS 5218, IMS Lab, 351 Cours Liberat, F-33405 Talence, France
[3] C2RMF, Palais Louvre Porte Lions 14, F-75001 Paris, France
基金
瑞士国家科学基金会;
关键词
D O I
暂无
中图分类号
TM [电工技术]; TN [电子技术、通信技术];
学科分类号
0808 ; 0809 ;
摘要
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.
引用
收藏
页数:1
相关论文
共 50 条
  • [1] Terahertz Spectroscopy and Quantum Mechanical Simulations of Crystalline Copper-Containing Historical Pigments
    Kleist, Elyse M.
    Dandolo, Corinna L. Koch
    Guillet, Jean-Paul
    Mounaix, Patrick
    Korter, Timothy M.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 123 (06): : 1225 - 1232
  • [2] Low-Frequency Vibrational Spectroscopy and Quantum Mechanical Simulations of the Crystalline Polymorphs of the Antiviral Drug Ribavirin
    Davis, Margaret P.
    Korter, Timothy M.
    MOLECULAR PHARMACEUTICS, 2022, 19 (09) : 3385 - 3393
  • [3] Quantum Mechanical Simulations of Crystalline Helium Using High Performance Architectures
    Jenkins, David D.
    Hinde, Robert J.
    Peterson, Gregory D.
    2012 SC COMPANION: HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS (SCC), 2012, : 1468 - +
  • [4] Quantum Mechanical Simulations of Crystalline Helium Using High Performance Architectures
    Jenkins, David D.
    Hinde, Robert J.
    Peterson, Gregory D.
    2012 SC COMPANION: HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS (SCC), 2012, : 1470 - 1470
  • [5] Characterizing crystalline materials with terahertz spectroscopy
    Ahmed, Zeeshan
    Plusquellic, David F.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 245
  • [6] Terahertz spectroscopy of the crystalline explosive nitroguanidine
    Juliano, Thomas R., Jr.
    Korter, Timothy
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 244
  • [7] Thermoelasticity in organic semiconductors determined with terahertz spectroscopy and quantum quasi-harmonic simulations
    Banks, Peter A.
    Maul, Jefferson
    Mancini, Mark T.
    Whalley, Adam C.
    Erba, Alessandro
    Ruggiero, Michael T.
    JOURNAL OF MATERIALS CHEMISTRY C, 2020, 8 (31) : 10917 - 10925
  • [8] Terahertz spectroscopy of organic molecular crystalline forms
    Plinski, Edward F.
    2012 19TH INTERNATIONAL CONFERENCE ON MICROWAVE RADAR AND WIRELESS COMMUNICATIONS (MIKON), VOLS 1 AND 2, 2012, : 279 - 281
  • [9] Terahertz spectroscopy of crystalline pharmaceuticals: Experiment and theory
    Korter, Timothy M.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 246
  • [10] Resolving the Origins of Crystalline Anharmonicity Using Terahertz Time-Domain Spectroscopy and ab Initio Simulations
    Ruggiero, Michael T.
    Zeitler, J. Axel
    JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 120 (45): : 11733 - 11739