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3. Nuclear quantum effects of hydrogen bonds probed by tip-enhanced inelastic electron tunneling

Author

Xiangzhi Meng, Zhichang Wang, Yexin Feng, Zeren Lin, Ji Chen, Enge Wang, Jing Guo, Jinbo Peng, Ying Jiang, Jing-Tao Lü, and Xin-Zheng Li

Subjects
Multidisciplinary, Hydrogen, Inelastic electron tunneling spectroscopy, Hydrogen bond, Chemistry, chemistry.chemical_element, 02 engineering and technology, Inelastic scattering, 021001 nanoscience & nanotechnology, 01 natural sciences, law.invention, Atomic orbital, law, Quantum mechanics, 0103 physical sciences, Scanning tunneling microscope, 010306 general physics, 0210 nano-technology, Quantum, Quantum tunnelling
Abstract

Quantum effects in single hydrogen bonds Hydrogen bonds are a combination of electrostatics with a nuclear quantum contribution arising from the light mass of hydrogen nuclei. However, the quantum states of hydrogen nuclei are extremely sensitive to coupling with local environments, and these effects are broadened and averaged with conventional spectroscopic or diffraction techniques. Guo et al. show that quantum effects change the strength of individual hydrogen bonds in water layers adsorbed on a salt surface. These effects are revealed in inelastic tunneling spectra obtained with a chlorine-terminated scanning tunneling microscope tip. Science , this issue p. 321

Published
2016

4. Nuclear quantum effects of hydrogen bonds probed by tip-enhanced inelastic electron tunneling.

Author

Jing Guo, Jing-Tao Lü, Yexin Feng, Ji Chen, Jinbo Peng, Zeren Lin, Xiangzhi Meng, Zhichang Wang, Xin-Zheng Li, En-Ge Wang, and Ying Jiang

Subjects
*QUANTUM states, *HYDROGEN bonding, *ELECTRON tunneling, *SCANNING tunneling microscopy, *ANHARMONIC motion, *HYDROGEN, *NUCLEAR cross sections, *CHLORINE
Abstract

We report the quantitative assessment of nuclear quantum effects on the strength of a single hydrogen bond formed at a water-salt interface, using tip-enhanced inelastic electron tunneling spectroscopy based on a scanning tunneling microscope. The inelastic scattering cross section was resonantly enhanced by "gating" the frontier orbitals of water via a chlorine-terminated tip, so the hydrogen-bonding strength can be determined with high accuracy from the red shift in the oxygen-hydrogen stretching frequency of water. Isotopic substitution experiments combined with quantum simulations reveal that the anharmonic quantum fluctuations of hydrogen nuclei weaken the weak hydrogen bonds and strengthen the relatively strong ones. However, this trend can be completely reversed when a hydrogen bond is strongly coupled to the polar atomic sites of the surface. [ABSTRACT FROM AUTHOR]

Published
2016
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