2026-01-15 中国科学院（CAS）
Experimental IR-VUV spectra and identified structures of hydrated BaOH clusters. (Image by YAN Wenhui)
＜関連情報＞
- https://english.cas.cn/newsroom/research_news/chem/202601/t20260116_1145771.shtml
- https://pubs.acs.org/doi/full/10.1021/jacs.5c15032
水和BaOHのIR-VUV光イオン化スペクトルは、成長する水クラスターにおける塩基の解離を明らかにする IR-VUV Photoionization Spectra of Hydrated BaOH Reveal Base Dissociation in Growing Water Clusters
Wenhui Yan,Shuai Jiang,Shangdong Li,Jianxing Zhuang,Ailin Wang,Hua Xie,Gang Li,and Ling Jiang
Journal of the American Chemical Society Published: January 13, 2026
DOI:https://doi.org/10.1021/jacs.5c15032
Abstract
Investigating the dissociation of base in a microhydration environment is important for revealing various fundamental physical and chemical processes. In this study, neutral open-shell BaOH(H2O)n (n = 1–5) clusters were characterized by size-specific infrared-vacuum ultraviolet photoionization spectroscopy combined with quantum chemical calculations and ab initio molecular dynamics simulations. The results show that the Ba–OH bond is undissociated for n = 1 and 2, and the transition from contact ion pair (CIP) to solvent-shared ion pair (SIP) spontaneously starts at n = 3. The present findings clarify the previous debate that BaOH shows no sign of dissociation even at n = 5. This work reveals the microscopic mechanisms of base dissolution processes and lays a solid foundation for broader application across systems.
