- Published
- 2023-01-01
- Venue
- Chemical Society Reviews, vol. 52, no. 9, pp. 3098-3169
- Cited by
- 396
- Open access
- Yes, hybrid
- DOI
- 10.1039/d2cs00481j
- PubMed
- 37070570
Abstract
X-ray diffraction, albeit as the century came to a close the response of molecular crystals to electric, magnetic, and light fields revealed that the physical properties of molecular crystals were as rich as the diversity of molecules themselves. In this century, the mechanical properties of molecular crystals have continued to enhance our understanding of the colligative responses of weakly bound molecules to internal frustration and applied forces. Here, the authors review the main themes of research that have developed in recent decades, prefaced by an overview of the particular considerations that distinguish molecular crystals from traditional materials such as metals and ceramics. Many molecular crystals will deform themselves as they grow under some conditions. Whether they respond to intrinsic stress or external forces or interactions among the fields of growing crystals remains an open question. Photoreactivity in single crystals has been a leading theme in organic solid-state chemistry; however, the focus of research has been traditionally on reaction stereo- and regio-specificity. However, as light-induced chemistry builds stress in crystals anisotropically, all types of motions can be actuated. The correlation between photochemistry and the responses of single crystals-jumping, twisting, fracturing, delaminating, rocking, and rolling-has become a well-defined field of research in its own right: photomechanics. The advancement of our understanding requires theoretical and high-performance computations. Computational crystallography not only supports interpretations of mechanical responses, but predicts the responses itself. This requires the engagement of classical force-field based molecular dynamics simulations, density functional theory-based approaches, and the use of machine learning to divine patterns to which algorithms can be better suited than people. The integration of mechanics with the transport of electrons and photons is considered for practical applications in flexible organic electronics and photonics. Dynamic crystals that respond rapidly and reversibly to heat and light can function as switches and actuators. Progress in identifying efficient shape-shifting crystals is also discussed. Finally, the importance of mechanical properties to milling and tableting of pharmaceuticals in an industry still dominated by active ingredients composed of small molecule crystals is reviewed. A dearth of data on the strength, hardness, Young's modulus, and fracture toughness of molecular crystals underscores the need for refinement of measurement techniques and conceptual tools. The need for benchmark data is emphasized throughout.
Cite this paper
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- APA 7
Awad, W. M., Davies, D. W., Kitagawa, D., Halabi, J. M., Al‐Handawi, M. B., Tahir, I., Tong, F., Campillo‐Alvarado, G., Shtukenberg, A. G., Alkhidir, T., Hagiwara, Y., Almehairbi, M., Lan, L., Hasebe, S., Karothu, D. P., Mohamed, S., Koshima, H., Kobatake, S., Diao, Y., … Naumov, P. (2023). Mechanical properties and peculiarities of molecular crystals. Chemical Society Reviews, 52(9), 3098–3169. https://doi.org/10.1039/d2cs00481j
- MLA 9
Awad, Wegood M., et al. "Mechanical properties and peculiarities of molecular crystals." Chemical Society Reviews, vol. 52, no. 9, 2023, pp. 3098–3169, https://doi.org/10.1039/d2cs00481j.
- Chicago
Awad, Wegood M., Daniel W. Davies, Daichi Kitagawa, Jad Mahmoud Halabi, Marieh B. Al‐Handawi, Ibrahim Tahir, Fei Tong, et al. "Mechanical properties and peculiarities of molecular crystals." Chemical Society Reviews 52, no. 9 (2023): 3098–3169. https://doi.org/10.1039/d2cs00481j.
- GOST
Awad W. M., Davies D. W., Kitagawa D. [и др.] Mechanical properties and peculiarities of molecular crystals // Chemical Society Reviews. — 2023. — Vol. 52, № 9. — P. 3098–3169. — URL: https://doi.org/10.1039/d2cs00481j
- BibTeX
@article{awad2023mechanical, title = {{Mechanical properties and peculiarities of molecular crystals}}, author = {Wegood M. Awad and Daniel W. Davies and Daichi Kitagawa and Jad Mahmoud Halabi and Marieh B. Al‐Handawi and Ibrahim Tahir and Fei Tong and Gonzalo Campillo‐Alvarado and Alexander G. Shtukenberg and Tamador Alkhidir and Yuki Hagiwara and Mubarak Almehairbi and Linfeng Lan and Shodai Hasebe and Durga Prasad Karothu and Sharmarke Mohamed and Hideko Koshima and Seiya Kobatake and Ying Diao and Rajadurai Chandrasekar and Hongyu Zhang and Changquan Calvin Sun and Christopher J. Bardeen and Rabih O. Al‐Kaysi and Bart E. Kahr and Pancě Naumov}, journal = {Chemical Society Reviews}, year = {2023}, volume = {52}, number = {9}, pages = {3098--3169}, doi = {10.1039/d2cs00481j}, url = {https://doi.org/10.1039/d2cs00481j} }- RIS
TY - JOUR AU - Awad, Wegood M. AU - Davies, Daniel W. AU - Kitagawa, Daichi AU - Halabi, Jad Mahmoud AU - Al‐Handawi, Marieh B. AU - Tahir, Ibrahim AU - Tong, Fei AU - Campillo‐Alvarado, Gonzalo AU - Shtukenberg, Alexander G. AU - Alkhidir, Tamador AU - Hagiwara, Yuki AU - Almehairbi, Mubarak AU - Lan, Linfeng AU - Hasebe, Shodai AU - Karothu, Durga Prasad AU - Mohamed, Sharmarke AU - Koshima, Hideko AU - Kobatake, Seiya AU - Diao, Ying AU - Chandrasekar, Rajadurai AU - Zhang, Hongyu AU - Sun, Changquan Calvin AU - Bardeen, Christopher J. AU - Al‐Kaysi, Rabih O. AU - Kahr, Bart E. AU - Naumov, Pancě TI - Mechanical properties and peculiarities of molecular crystals JO - Chemical Society Reviews VL - 52 IS - 9 SP - 3098 EP - 3169 PY - 2023 DA - 2023/01/01 DO - 10.1039/d2cs00481j UR - https://doi.org/10.1039/d2cs00481j ER -
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