Spectroscopic and Theoretical Identifications of Two Structural Motifs of (H<sub>2</sub>O)<sub>10</sub> Cluster
Yangyang Zhang, Huijun Zheng, Tiantong Wang, Shuai Jiang, Wenhui Yan, Chong Wang, Ya Zhao, Jun‐Bo Lu, Han‐Shi Hu, Jiayue Yang, Weiqing Zhang, Guorong Wu, Hua Xie, Gang Li, Ling Jiang, Xueming Yang, Jun Li
Abstract
Precise characterization of archetypal systems of aqueous hydrogen-bonding networks is essential for developing accurate potential functions and universal models of water. The structures of water clusters (H 2 O) n ( n = 2–9) have been verified recently through size-specific infrared spectroscopy with a vacuum ultraviolet free electron laser (VUV-FEL) and quantum chemical studies. For (H 2 O) 10, the pentagonal prism and butterfly motifs were proposed to be important building blocks and were observed in previous experiments. Here we report the size-specific infrared spectra of (H 2 O) 10 via a joint experimental and theoretical study. Well-resolved spectra provide a unique signature for the coexistence of pentagonal prism and butterfly motifs. These (H 2 O) 10 motifs develop from the dominant structures of (H 2 O) n ( n = 8, 9) clusters. This work provides an intriguing prelude to the diverse structure of liquid water and opens avenues for size-dependent measurement of larger systems to understand the stepwise formation mechanism of hydrogen-bonding networks.