Infrared spectroscopic signature of the structural diversity of the water heptamer

Autor: Yang-Yang Zhang, Chong Wang, Gang Li, Xiangyu Zang, Yong Yu, Han-Shi Hu, Jiayue Yang, Weiqing Zhang, Dongxu Dai, Guorong Wu, Ling Jiang, Xueming Yang, Jun Li
Jazyk: angličtina
Rok vydání: 2022
Předmět:
Zdroj: Cell Reports Physical Science, Vol 3, Iss 2, Pp 100748- (2022)
Druh dokumentu: article
ISSN: 2666-3864
DOI: 10.1016/j.xcrp.2022.100748
Popis: Summary: As a key species in understanding the hydrogen-bonding network transitions between liquid water and ice, the neutral water heptamer is a challenging experimental target, owing to the richness of low-lying isomers. Here, we report the size-specific infrared spectra of confinement-free, neutral water heptamer (H2O)7 based on threshold photoionization using a tunable vacuum ultraviolet free electron laser. The complexity of the observed spectra indicates that many nearly isoenergetic isomers are present at finite temperatures. Two classes of prism- and cage-like structures are identified in a high-pressure pulsed supersonic expansion of water heptamer, in which the former is favored energetically at low temperatures and serves as a major contributor to the experimental spectrum. These findings provide key information for filling the gap between well-studied water hexamer and octamer.
Databáze: Directory of Open Access Journals