期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 130, 期 46, 页码 15393-15404出版社
AMER CHEMICAL SOC
DOI: 10.1021/ja803666m
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资金
- National Science Foundation [CHE-0415859, CHE-0072178]
- Donors of the American Chemical Society Petroleum Research Fund
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [0748874] Funding Source: National Science Foundation
A delicate balance between competing and cooperating noncovalent interactions determines the three-dimensional structure of hydrated alkali-metal ion clusters. A critical factor influencing the balance reached is the internal energy content (or effective temperature) of the ion cluster. Cold cluster ions (similar to 50-150 K) have little internal energy, and enthalpic contributions have a greater influence on the relative population of low-lying minima. In clusters whose internal energy distributions correspond to temperatures similar to 250-500 K, entropic effects are expected to influence which structural isomers are present, favoring those where free energy has been minimized. Infrared photodissociation spectra of M+(H2O)(x=2-5) (similar to 250-500 K) are reported for M = Li, Na, K, and Cs to explore ion dependencies and entropic effects on the observed three-dimensional structure.
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