On the possible existence of a charge-separated (H3O+)4 (OH-)4 form of (H2O)8

Autor:	Sharon Y. Fredericks, Kenneth D. Jordan
Rok vydání:	1997
Předmět:	Physics Biophysics Cluster (physics) Charge (physics) Physical and Theoretical Chemistry Condensed Matter Physics Molecular Biology Molecular physics Ion
Zdroj:	Molecular Physics. 92:445-448
ISSN:	1362-3028 0026-8976
DOI:	10.1080/002689797170185
Popis:	The possibility that the (H2O)8 cluster has a fully charged-separated local minimum with H3O+ and OH- ions alternating around the corners of a cube is investigated theoretically. The calculations do locate such a species, lying only 1·3 eV above the un-ionized global minimum structure. However, the barrier for rearrangement to the un-ionized species is very small.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::82770dbb8275ea91f1408df6fe08a5be https://doi.org/10.1080/002689797170185 Zobrazit plný text záznamu