Investigating the function and design of molecular materials through terahertz vibrational spectroscopy

Sirtori, C. Bridge for the terahertz gap. Nature 417, 132–133 (2002).

Article  CAS  PubMed  Google Scholar 

Schmuttenmaer, C. A. Exploring dynamics in the far-infrared with terahertz spectroscopy. Chem. Rev. 104, 1759–1780 (2004). This review is an excellent account of THz-TDS, specifically with regard to its experimental considerations and time-resolved techniques.

Article  CAS  PubMed  Google Scholar 

Du, W., Huang, Y., Zhou, Y. & Xu, X. Terahertz interface physics: from terahertz wave propagation to terahertz wave generation. J. Phys. D 55, 223002 (2022).

Article  Google Scholar 

Markl, D. et al. Characterisation of pore structures of pharmaceutical tablets: a review. Int. J. Pharm. 538, 188–214 (2018). This review covers applications of THz-TDS within the pharmaceutical sciences, focusing on the characterization of porous materials.

Article  CAS  PubMed  Google Scholar 

Huq, K. M. S. et al. Terahertz-enabled wireless system for beyond-5G ultra-fast networks: a brief survey. IEEE Netw. 33, 89–95 (2019).

Article  Google Scholar 

Bawuah, P. & Zeitler, J. A. Advances in terahertz time-domain spectroscopy of pharmaceutical solids: a review. Trends Anal. Chem. 139, 116272 (2021).

Article  CAS  Google Scholar 

Ruggiero, M. T., Zeitler, J. A. & Korter, T. M. Concomitant polymorphism and the martensitic-like transformation of an organic crystal. Phys. Chem. Chem. Phys. 19, 28502–28506 (2017).

Article  CAS  PubMed  Google Scholar 

Banks, P. A., Burgess, L. & Ruggiero, M. T. The necessity of periodic boundary conditions for the accurate calculation of crystalline terahertz spectra. Phys. Chem. Chem. Phys. 23, 20038–20051 (2021).

Article  CAS  PubMed  Google Scholar 

Hutereau, M. et al. Resolving anharmonic lattice dynamics in molecular crystals with X-ray diffraction and terahertz spectroscopy. Phys. Rev. Lett. 125, 103001 (2020).

Article  CAS  PubMed  Google Scholar 

Ruggiero, M. T., Zeitler, J. A. & Erba, A. Intermolecular anharmonicity in molecular crystals: interplay between experimental low-frequency dynamics and quantum quasi-harmonic simulations of solid purine. Chem. Commun. 53, 3781–3784 (2017).

Article  CAS  Google Scholar 

Kleist, E. M. & Ruggiero, M. T. Advances in low-frequency vibrational spectroscopy and applications in crystal engineering. Cryst. Growth Des. 22, 939–953 (2021).

Article  Google Scholar 

Strachan, C. J. et al. Using terahertz pulsed spectroscopy to quantify pharmaceutical polymorphism and crystallinity. J. Pharm. Sci. 94, 837–846 (2005).

Article  CAS  PubMed  Google Scholar 

Ajito, K., Ueno, Y., Song, H.-J., Tamechika, E. & Kukutsu, N. Terahertz spectroscopic imaging of polymorphic forms in pharmaceutical crystals. Mol. Cryst. Liq. Cryst. 538, 33–38 (2011).

Article  CAS  Google Scholar 

Siegrist, K. et al. High-resolution terahertz spectroscopy of crystalline trialanine: extreme sensitivity to β-sheet structure and cocrystallized water. J. Am. Chem. Soc. 128, 5764–5775 (2006).

Article  CAS  PubMed  Google Scholar 

Ruggiero, M. T., Kölbel, J., Li, Q. & Zeitler, J. A. Predicting the structures and associated phase transition mechanisms in disordered crystals via a combination of experimental and theoretical methods. Faraday Discuss. 211, 425–439 (2018).

Article  CAS  PubMed  Google Scholar 

Ruggiero, M. T., Zhang, W., Bond, A. D., Mittleman, D. M. & Zeitler, J. A. Uncovering the connection between low-frequency dynamics and phase transformation phenomena in molecular solids. Phys. Rev. Lett. 120, 196002 (2018).

Article  CAS  PubMed  Google Scholar 

Turton, D. A. et al. Terahertz underdamped vibrational motion governs protein-ligand binding in solution. Nat. Commun. 5, 3999 (2014).

Article  CAS  PubMed  Google Scholar 

Li, X. et al. Terahertz field-induced ferroelectricity in quantum paraelectric SrTiO3. Science 364, 1079–1082 (2019).

Article  CAS  PubMed  Google Scholar 

Kemp, M. C. et al. Security applications of terahertz technology. In Proc. SPIE Vol. 5070 (eds Hwu, R. J. & Woolard, D. L.) 44–52 (International Society for Optics and Photonics, 2003).

Kawase, K., Ogawa, Y., Watanabe, Y. & Inoue, H. Non-destructive terahertz imaging of illicit drugs using spectral fingerprints. Opt. Express 11, 2549–2554 (2003).

Article  CAS  PubMed  Google Scholar 

Tanno, T. et al. In situ observation of gas adsorption onto ZIF-8 using terahertz waves. J. Phys. Chem. C 121, 17921–17924 (2017). This work reports the terahertz spectral response of MOF ZIF-8 upon loading of gaseous guest molecules, which highlights the role of an anti-symmetric gate-opening vibrational mode in guest molecule adsorption.

Article  CAS  Google Scholar 

Ryder, M. R. et al. Identifying the role of terahertz vibrations in metal–organic frameworks: from gate-opening phenomenon to shear-driven structural destabilization. Phys. Rev. Lett. 113, 215502 (2014).

Article  PubMed  Google Scholar 

Ruggiero, M. T., Sibik, J., Orlando, R., Zeitler, J. A. & Korter, T. M. Measuring the elasticity of poly-l-proline helices with terahertz spectroscopy. Angew. Chem. Int. Ed. 128, 6877–6881 (2016).

Article  Google Scholar 

Woerner, M., Kuehn, W., Bowlan, P., Reimann, K. & Elsaesser, T. Ultrafast two-dimensional terahertz spectroscopy of elementary excitations in solids. N. J. Phys. 15, 025039 (2013).

Article  CAS  Google Scholar 

Kuehn, W. et al. Strong correlation of electronic and lattice excitations in GaAs/AlGaAs semiconductor quantum wells revealed by two-dimensional terahertz spectroscopy. Phys. Rev. Lett. 107, 067401 (2011).

Article  CAS  PubMed  Google Scholar 

Tarekegne, A. T. et al. Subcycle nonlinear response of doped 4H silicon carbide revealed by two-dimensional terahertz spectroscopy. ACS Photon. 7, 221–231 (2019).

Article  Google Scholar 

Reimann, K., Woerner, M. & Elsaesser, T. Two-dimensional terahertz spectroscopy of condensed-phase molecular systems. J. Chem. Phys. 154, 120901 (2021).

Article  CAS  PubMed  Google Scholar 

Schweicher, G. et al. Chasing the “killer” phonon mode for the rational design of low-disorder, high-mobility molecular semiconductors. Adv. Mater. 31, 1902407 (2019). This article emphasizes the role of terahertz vibrations in organic semiconducting molecular materials, specifically with respect to their detrimental effects upon charge carrier mobilities.

Article  CAS  Google Scholar 

Ruggiero, M. T., Ciuchi, S., Fratini, S. & D’Avino, G. Electronic structure, electron-phonon coupling, and charge transport in crystalline rubrene under mechanical strain. J. Phys. Chem. C 123, 15897–15907 (2019).

Article  CAS  Google Scholar 

Jepsen, P. U., Cooke, D. G. & Koch, M. Terahertz spectroscopy and imaging — modern techniques and applications. Laser Photon. Rev. 5, 124–166 (2011).

Article  CAS  Google Scholar 

Baxter, J. B. & Guglietta, G. W. Terahertz spectroscopy. Anal. Chem. 83, 4342–4368 (2011). This review provides an in-depth account of the developments of terahertz techniques, as well as detailing current methods for the generation and detection of terahertz pulses.

Article  CAS  PubMed  Google Scholar 

Cheville, R. A. & Grischkowsky, D. Observation of pure rotational absorption spectra in the v2 band of hot H2O in flames. Opt. Lett. 23, 531–533 (1998).

Article  CAS  PubMed  Google Scholar 

Pirali, O., Van-Oanh, N. T., Parneix, P., Vervloet, M. & Bréchignac, P. Far-infrared spectroscopy of small polycyclic aromatic hydrocarbons. Phys. Chem. Chem. Phys. 8, 3707–3714 (2006).

Article  CAS  PubMed  Google Scholar 

Walther, M., Fischer, B. M. & Jepsen, P. U. Noncovalent intermolecular forces in polycrystalline and amorphous saccharides in the far infrared. Chem. Phys. 288, 261–268 (2003).

Article  CAS  Google Scholar 

Ruggiero, M. T., Gooch, J., Zubieta, J. & Korter, T. M. Evaluation of range-corrected density functionals for the simulation of pyridinium-containing molecular crystals. J. Phys. Chem. A 120, 939–947 (2016).

Article  CAS  PubMed  Google Scholar 

Grechko, M. et al. Coupling between intra- and intermolecular motions in liquid water revealed by two-dimensional terahertz-infrared-visible spectroscopy. Nat. Commun. 9, 885 (2018).

Article  PubMed  PubMed Central  Google Scholar 

Williams, M. R. C. et al. Terahertz spectroscopy of enantiopure and racemic polycrystalline valine. Phys. Chem. Chem. Phys. 13, 11719 (2011).

Article  CAS  PubMed  Google Scholar 

Kendrick, J. & Burnett, A. D. Exploring the reliability of DFT calculations of the infrared and terahertz spectra of sodium peroxodisulfate. J. Infrared Millim. Terahertz Waves 41, 382–413 (2020).

Article  CAS  Google Scholar 

Kendrick, J. & Burnett, A. D. PDielec: the calculation of infrared and terahertz absorption for powdered crystals. J. Comput. Chem. 37, 1491–1504 (2016).

Article  CAS  PubMed  PubMed Central  Google Scholar 

Zeitler, J. et al. Drug hydrate systems and dehydration processes studied by terahertz pulsed spectroscopy. Int. J. Pharm. 334, 78–84 (2007).

Article  CAS  PubMed  Google Scholar 

Zeitler, J. et al. Characterization of temperature-induced phase transitions in five polymorphic forms of sulfathiazole by terahertz pulsed spectroscopy and differential scanning calorimetry. J. Pharm. Sci. 95, 2486–2498 (2006).

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