article Sonja C. Döller author Martin Brodrecht author Nadia B. Haro Mares author Hergen Breitzke author Torsten Gutmann author 118165 Markus Hoffmann author Gerd Buntkowsky author The interactions of molecules such as surfactants with solid interfaces are not sufficiently understood since their study is challenging with standard spectroscopic methods. In this work, octanol-d17 as a model system confined in the mesopores of SBA-15 is studied by variable temperature deuterium solid-state NMR, and the findings are compared to those of bulk octanol-d17. The magic angle spinning (MAS) as well as the static, nonspinning case, are investigated, showing that the described observations are independent of the applied NMR method. The 2H NMR spectra of both the bulk and the confined octanol-d17 show a large and a small quadrupolar Pake pattern below the melting point, suggesting a rigid conformation of the observed molecules with a 3-fold jump motion of the terminal CD3-group. Apart from the melting of the solid, no other phase transition is observed for either sample. The confined octanol-d17 forms a pore solid, exhibiting a melting point 38 K lower than bulk octanol-d17. The interactions of the molecule with the mesoporous SBA-15 bring about a distribution of activation energies for the melting process, resulting in a gradual melting process. American Chemical Society2021 eng 1932-744710.1021/acs.jpcc.1c05873 1254525155–25164 yes Döller, S. C., Brodrecht, M., Haro Mares, N. B., Breitzke, H., Gutmann, T., Hoffmann, M., &#38; Buntkowsky, G. (2021). Deuterium NMR Studies of the Solid–Liquid Phase Transition of Octanol-d17 Confined in SBA-15. <i>Journal of Physical Chemistry C</i>, <i>125</i>(45), 25155–25164. <a href="https://doi.org/10.1021/acs.jpcc.1c05873">https://doi.org/10.1021/acs.jpcc.1c05873</a> S. C. Döller <i>et al.</i>, “Deuterium NMR Studies of the Solid–Liquid Phase Transition of Octanol-d17 Confined in SBA-15,” <i>Journal of Physical Chemistry C</i>, vol. 125, no. 45, pp. 25155–25164, 2021, doi: <a href="https://doi.org/10.1021/acs.jpcc.1c05873">10.1021/acs.jpcc.1c05873</a>. Döller, Sonja C., Martin Brodrecht, Nadia B. Haro Mares, Hergen Breitzke, Torsten Gutmann, Markus Hoffmann, and Gerd Buntkowsky. “Deuterium NMR Studies of the Solid–Liquid Phase Transition of Octanol-D17 Confined in SBA-15.” <i>Journal of Physical Chemistry C</i> 125, no. 45 (2021): 25155–25164. <a href="https://doi.org/10.1021/acs.jpcc.1c05873">https://doi.org/10.1021/acs.jpcc.1c05873</a>. S.C. Döller, M. Brodrecht, N.B. Haro Mares, H. Breitzke, T. Gutmann, M. Hoffmann, G. Buntkowsky, Journal of Physical Chemistry C 125 (2021) 25155–25164. Döller, Sonja C., et al. “Deuterium NMR Studies of the Solid–Liquid Phase Transition of Octanol-D17 Confined in SBA-15.” <i>Journal of Physical Chemistry C</i>, vol. 125, no. 45, American Chemical Society, 2021, pp. 25155–25164, doi:<a href="https://doi.org/10.1021/acs.jpcc.1c05873">10.1021/acs.jpcc.1c05873</a>. Döller SC, Brodrecht M, Haro Mares NB, et al. Deuterium NMR Studies of the Solid–Liquid Phase Transition of Octanol-d17 Confined in SBA-15. <i>Journal of Physical Chemistry C</i>. 2021;125(45):25155–25164. doi:<a href="https://doi.org/10.1021/acs.jpcc.1c05873">10.1021/acs.jpcc.1c05873</a> @article{Döller_Brodrecht_Haro Mares_Breitzke_Gutmann_Hoffmann_Buntkowsky_2021, title={Deuterium NMR Studies of the Solid–Liquid Phase Transition of Octanol-d17 Confined in SBA-15}, volume={125}, DOI={<a href="https://doi.org/10.1021/acs.jpcc.1c05873">10.1021/acs.jpcc.1c05873</a>}, number={45}, journal={Journal of Physical Chemistry C}, publisher={American Chemical Society}, author={Döller, Sonja C. and Brodrecht, Martin and Haro Mares, Nadia B. and Breitzke, Hergen and Gutmann, Torsten and Hoffmann, Markus and Buntkowsky, Gerd}, year={2021}, pages={25155–25164} } 639472026-02-07T09:12:35Z2026-02-17T16:18:28Z