Stabilities of protonated water-ammonia clusters
Artikel i vetenskaplig tidskrift, 2018

Branching ratios of water and ammonia evaporation have been measured for spontaneous evaporation from protonated mixed clusters H + (H 2 O) n (NH 3 ) 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.

Författare

Erika Sundén

Göteborgs universitet

K Stöchkel

Aarhus Universitet

P. Hvelplund

Aarhus Universitet

S. Brøndsted Nielsen

Aarhus Universitet

Bertil Dynefors

Chalmers, Fysik

Klavs Hansen

Göteborgs universitet

Tianjin University

Journal of Chemical Physics

0021-9606 (ISSN) 1089-7690 (eISSN)

Vol. 148 184306

Ämneskategorier

Oorganisk kemi

Fysikalisk kemi

Teoretisk kemi

DOI

10.1063/1.5023620