TY - JOUR
T1 - Dipolar atoms, spin-paired species and the anomalous behavior of NaNaBr solutions
AU - Xu, L. F.
AU - Selloni, A.
AU - Parrinello, M.
N1 - Funding Information:
This work has been supported by the SISSA-CINECA (Centro di Calcolo Elettronico dell’Italia Nord-Orientale) collaborative project, under the sponsorship of the Italian Ministry for Public Education.
PY - 1989/10/6
Y1 - 1989/10/6
N2 - 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.
AB - 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.
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U2 - 10.1016/0009-2614(89)85060-2
DO - 10.1016/0009-2614(89)85060-2
M3 - Article
AN - SCOPUS:0003020942
SN - 0009-2614
VL - 162
SP - 27
EP - 31
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-2
ER -