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Title

In situ optical spectroscopy of crystallization: One crystal nucleation at a time

Authors
LeMessurier, Natalie
Simine, Lena
Published in Proceedings of the National Academy of Sciences of the United States of America. 2022, vol. 119, no. 16, e2122990119
Abstract While crystallization is a ubiquitous and an important process, the microscopic picture of crystal nucleation is yet to be established. Recent studies suggest that the nucleation process can be more complex than the view offered by the classical nucleation theory. Here, we implement Single Crystal Nucleation Spectroscopy (SCNS) by combining Raman microspectroscopy and optical trapping induced crystallization to spectroscopically investigate one crystal nucleation at a time. Raman spectral evolution during a single glycine crystal nucleation from water, measured by SCNS and analyzed by a non-supervised spectral decomposition technique, uncovered the Raman spectrum of pre-nucleation aggregates and their critical role as an intermediate species in the dynamics. The agreement between the spectral feature of pre-nucleation aggregates and our simulation suggests that their structural order emerges through the dynamic formation of hydrogen-bonded networks in a linear fashion. The present work provides a strong impetus for accelerating the investigation of crystal nucleation by optical spectroscopy.
Keywords Crystal nucleationDensity functional calculationIn situ Raman microspectroscopyMolecular dynamics simulationOptical trapping induced crystallization
Identifiers
PMID: 35394901
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Other version: https://pnas.org/doi/full/10.1073/pnas.2122990119
Structures
Research group Groupe Adachi
Citation
(ISO format)
URQUIDI GANDARILLAS, Oscar et al. In situ optical spectroscopy of crystallization: One crystal nucleation at a time. In: Proceedings of the National Academy of Sciences of the United States of America, 2022, vol. 119, n° 16, p. e2122990119. doi: 10.1073/pnas.2122990119 https://archive-ouverte.unige.ch/unige:162448

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Deposited on : 2022-08-03

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