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. 2003 Feb 26;125(8):2259-63.
doi: 10.1021/ja027241m.

Barium Azacryptand Sodide, the First Alkalide With an Alkaline Earth Cation, Also Contains a Novel Dimer, (Na(2))(2-)

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Barium Azacryptand Sodide, the First Alkalide With an Alkaline Earth Cation, Also Contains a Novel Dimer, (Na(2))(2-)

Mikhail Y Redko et al. J Am Chem Soc. .

Abstract

The first barium sodide, with stoichiometry Ba(2+)(H(5)Azacryptand[2.2.2](-))Na(-).2MeNH(2), was synthesized by the reaction of Ba, Na, and H(6)Azacryptand[2.2.2] in NH(3)-MeNH(2) solution. It was characterized by X-ray crystallography, (23)Na MAS NMR, hydrogen evolution, DSC, optical spectroscopy, and magnetic susceptibility. This is the first sodide in which the sodium anions form (Na(2))(2)(-) dimers. Previous theoretical predictions were verified by a calculation of the potential energy curve for the dimer in the field of the surrounding charges, whose positions were determined from the crystal structure.

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