Scientific article

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

Publication date2022-04-08
First online date2022-04-08

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.

  • Crystal nucleation
  • Density functional calculation
  • In situ Raman microspectroscopy
  • Molecular dynamics simulation
  • Optical trapping induced crystallization
Research group
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
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Article (Published version)
ISSN of the journal0027-8424

Technical informations

Creation04/09/2022 11:55:00 AM
First validation04/09/2022 11:55:00 AM
Update time03/16/2023 7:05:57 AM
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