Reply to ‘Comment on “Understanding the infrared spectrum of the protic ionic liquid [DEMA][TfO] by atomistic simulations”’ by J. Joo and A. L. L. East, Phys. Chem. Chem. Phys. , 2026, 28 , DOI: 10.1039/D5CP02379C
Abstract
. The authors incorrectly claim that our hypothesis was that the two bands are due to the NH stretch mode in two different ion-pair structural types. We clarify here that our original analysis did not invoke two separate, static ion-pair structures, but rather a continuum of dynamically evolving hydrogen-bonding environments that naturally produce a broadened, bimodal band shape. The results presented in our paper are aligned with the ones presented in the Comment. The Comment brings up the concept of Fermi resonance, which indeed gives a plausible explanation of the features seen in the experimental absorption spectra.
Fields of Study & Subjects
Ionic liquids properties and applications
Spectroscopy and Quantum Chemical Studies
Advanced Chemical Physics Studies
Publication details
- Journal / source
- Physical Chemistry Chemical Physics
- Volume
- 28
- Issue
- 7
- Pages
- 4971–4973
- Publication date
- 1 January 2026
- Language
- EN