期刊
SCIENCE
卷 336, 期 6083, 页码 897-901出版社
AMER ASSOC ADVANCEMENT SCIENCE
DOI: 10.1126/science.1220574
关键词
-
资金
- U.S. National Science Foundation (NSF) [CHE-0960074, CHE-0848827]
- Institute of Physics, Polish Academy of Sciences
- NSF [CHE-0116435, CHE-0521063, CHE-0849677]
- Texas Advanced Computing Center (TACC) [TG-CHE090095]
- Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [1044351, 0960074, 1229354] Funding Source: National Science Foundation
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [1213521] Funding Source: National Science Foundation
Theory predicts the water hexamer to be the smallest water cluster with a three-dimensional hydrogen-bonding network as its minimum energy structure. There are several possible low-energy isomers, and calculations with different methods and basis sets assign them different relative stabilities. Previous experimental work has provided evidence for the cage, book, and cyclic isomers, but no experiment has identified multiple coexisting structures. Here, we report that broadband rotational spectroscopy in a pulsed supersonic expansion unambiguously identifies all three isomers; we determined their oxygen framework structures by means of oxygen-18-substituted water ((H2O)-O-18). Relative isomer populations at different expansion conditions establish that the cage isomer is the minimum energy structure. Rotational spectra consistent with predicted heptamer and nonamer structures have also been identified.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据