独特的水-水配位由金属表面定制。

Unique water-water coordination tailored by a metal surface.

机构信息

Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA.

出版信息

J Chem Phys. 2013 Jun 21;138(23):234708. doi: 10.1063/1.4809680.

DOI:10.1063/1.4809680

PMID:23802977

Abstract

At low coverage of water on Cu(110), substrate-mediated electrostatics lead to zigzagging chains along [001] as observed with STM [T. Yamada, S. Tamamori, H. Okuyama, and T. Aruga, "Anisotropic water chain growth on Cu(110) observed with scanning tunneling microscopy" Phys. Rev. Lett. 96, 036105 (2006)]. Using x-ray absorption spectroscopy we find an anomalous low-energy resonance at ~533.1 eV which, based on density functional theory spectrum simulations, we assign to an unexpected configuration of water units whose uncoordinated O-H bonds directly face those of their neighbors; this interaction repeats over trough sites with enhanced electron density and is analogous to the case of a hydrated electron.

摘要

在 Cu(110)表面低含水量的情况下，基于基质介导的静电作用，STM 观测到 [001]方向上出现锯齿状的水链[T. Yamada, S. Tamamori, H. Okuyama, and T. Aruga, "Anisotropic water chain growth on Cu(110) observed with scanning tunneling microscopy" Phys. Rev. Lett. 96, 036105 (2006)]。通过 X 射线吸收光谱，我们在约 533.1 eV 处发现了一个异常的低能共振峰，基于密度泛函理论谱模拟，我们将其归因于一个意想不到的水分子构型，其未配位的 O-H 键直接指向相邻分子的 O-H 键；这种相互作用在增强电子密度的低谷位重复，并类似于水合电子的情况。