Time-dependent vibrational sum-frequency generation spectroscopy of the air-water interface
Ojha D, Kaliannan NK, Kühne TD (2019)
Publication Type: Journal article
Publication year: 2019
Journal
Book Volume: 2
Article Number: 116
Journal Issue: 1
DOI: 10.1038/s42004-019-0220-6
Abstract
Vibrational sum-frequency generation spectroscopy is a powerful method to study the microscopic structure and dynamics of interfacial systems. Here we demonstrate a simple computational approach to calculate the time-dependent, frequency-resolved vibrational sum-frequency generation spectrum (TD-vSFG) of the air-water interface. Using this approach, we show that at the air-water interface, the transition of water molecules with bonded OH modes to free OH modes occurs at a time scale of ~ 3 ps, whereas water molecules with free OH modes rapidly make a transition to a hydrogen-bonded state within ~ 2 ps. Furthermore, we also elucidate the origin of the observed differential dynamics based on the time-dependent evolution of water molecules in the different local solvent environments.
Involved external institutions
Germany (DE)How to cite
APA:
Ojha, D., Kaliannan, N.K., & Kühne, T.D. (2019). Time-dependent vibrational sum-frequency generation spectroscopy of the air-water interface. Communications Chemistry, 2(1). https://doi.org/10.1038/s42004-019-0220-6
MLA:
Ojha, Deepak, Naveen Kumar Kaliannan, and Thomas D. Kühne. "Time-dependent vibrational sum-frequency generation spectroscopy of the air-water interface." Communications Chemistry 2.1 (2019).
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