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

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

doi:10.1016/0009-2614(89)85060-2

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

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

Research output: Contribution to journal › Article › peer-review

24 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 language	English (US)
Pages (from-to)	27-31
Number of pages	5
Journal	Chemical Physics Letters
Volume	162
Issue number	1-2
DOIs	https://doi.org/10.1016/0009-2614(89)85060-2
State	Published - Oct 6 1989
Externally published	Yes

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(89)85060-2

Cite this

@article{9a9defcec00e4675ae800c609651215e,

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

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.",

author = "Xu, \{L. F.\} and A. Selloni and M. Parrinello",

note = "Funding Information: This work has been supported by the SISSA-CINECA (Centro di Calcolo Elettronico dell{\textquoteright}Italia Nord-Orientale) collaborative project, under the sponsorship of the Italian Ministry for Public Education.",

year = "1989",

month = oct,

day = "6",

doi = "10.1016/0009-2614(89)85060-2",

language = "English (US)",

volume = "162",

pages = "27--31",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

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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.

UR - https://www.scopus.com/pages/publications/0003020942

UR - https://www.scopus.com/pages/publications/0003020942#tab=citedBy

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 -

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

Abstract

All Science Journal Classification (ASJC) codes

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