Abstract
We present a combined molecular dynamics simulation and experimental study on the water bending mode at the water-vapor interface using sum-frequency generation (SFG) spectroscopy. The SFG spectrum simulated using an ab initio-based water model shows good agreement with the experimental data. The imaginary part of the SFG response shows a negative peak at ∼1650 cm(-1) and a positive peak at ∼1730 cm(-1). Our results reveal that these widely (∼80 cm(-1)) separated peaks result from the interference of two closely spaced (∼29 cm(-1)) peaks of opposite sign. The positive peak at ∼1689 cm(-1) originates from water with two donor hydrogen atoms with the HOH angular bisector pointing down toward the bulk, and the negative peak at ∼1660 cm(-1) from water with free O-H groups, pointing up. The small frequency difference of 29 cm(-1) indicates that the HOH bending mode frequency of interfacial water is relatively insensitive to the number of hydrogen bonds.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
