Dipolar atoms, spin-paired species and the anomalous behavior of NaNaBr solutions

L. F. Xu, A. Selloni, M. Parrinello

Research output: Contribution to journalArticlepeer-review

22 Scopus citations

Abstract

By using a quantum molecular dynamics method, we provide evidence that excess electrons in dilute NaNaBr solutions localize to form dipolar Na atomic-like states. This is at variance with solutions involving heavier alkali metals, where F-center-like states are formed. At higher concentrations, we observe formation of various spin-paired species. In agreement with earlier speculations, the most probable are found to be Na- and Na2.

Original languageEnglish (US)
Pages (from-to)27-31
Number of pages5
JournalChemical Physics Letters
Volume162
Issue number1-2
DOIs
StatePublished - Oct 6 1989
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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