Stabilities of protonated water-ammonia clusters

被引:5
|
作者
Sunden, A. E. K. [1 ]
Stochkel, K. [2 ]
Hvelplund, P. [2 ]
Nielsen, S. Brondsted [2 ]
Dynefors, B. [3 ]
Hansen, K. [1 ,4 ,5 ]
机构
[1] Univ Gothenburg, Dept Phys, S-41296 Gothenburg, Sweden
[2] Aarhus Univ, Dept Phys & Astron, Ny Munkegade 120, DK-8000 Aarhus C, Denmark
[3] Chalmers Univ Technol, S-41296 Gothenburg, Sweden
[4] Tianjin Univ, Ctr Joint Quantum Studies, Tianjin 300072, Peoples R China
[5] Tianjin Univ, Dept Phys, Tianjin 300072, Peoples R China
来源
JOURNAL OF CHEMICAL PHYSICS | 2018年 / 148卷 / 18期
关键词
ATMOSPHERIC AEROSOL NUCLEATION; SULFURIC-ACID; PARTICLE FORMATION; BINARY CLUSTERS; THERMODYNAMIC DATA; AB-INITIO; IONS; TEMPERATURE; IONIZATION; HYDRATION;
D O I
10.1063/1.5023620
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Branching ratios of water and ammonia evaporation have been measured for spontaneous evaporation from protonated mixed clusters H+(H2On(NH3)(m) in the size range 0 <= n <= 11 and 0 <= m <= 7. Mixed clusters evaporate water except for clusters containing six or more ammonia molecules, indicating the formation of a stable core of one ammonium ion surrounded by four ammonia molecules and a second shell consisting predominantly of water. We relate evaporative branching ratios to free energy differences between the products of competing channels and determine the free energy differences for clusters with up to seven ammonia molecules. Clusters containing up to five ammonia molecules show a very strong scaling of these free energy differences. Published by AIP Publishing.
引用
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页数:9
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