Stabilization energies of Cl−, Br−, and I− ions in water clusters | Zendy

L. Perera | Zendy; Max L. Berkowitz | Zendy

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Stabilization energies of Cl−, Br−, and I− ions in water clusters

Author(s) -

L. Perera,

Max L. Berkowitz

Publication year - 1993

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.466096

Subject(s) - ion , cluster (spacecraft) , water cluster , spectral line , atomic physics , chemistry , molecular dynamics , crystallography , physics , molecule , computational chemistry , hydrogen bond , organic chemistry , astronomy , computer science , programming language

Molecular dynamics computer simulations were performed on clusters of Cl−(H2O)n (n=2,...,15). From the simulations we calculated the stabilization energies of the anion in the cluster. These energies were compared with the values of stabilization energies obtained from the photodetachment spectra of X−(H2O)n clusters (X=Cl−, Br−, or I−). The comparison confirms the hypothesis that the anion is attached to the water cluster.

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