Barium azacryptand sodide, the first alkalide with an alkaline Earth cation, also contains a novel dimer, (Na(2))(2-)

Mikhail Y Redko; Rui H Huang; James E Jackson; James F Harrison; James L Dye

doi:10.1021/ja027241m

Barium azacryptand sodide, the first alkalide with an alkaline Earth cation, also contains a novel dimer, (Na(2))(2-)

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

Authors

Mikhail Y Redko¹, Rui H Huang, James E Jackson, James F Harrison, James L Dye

Affiliation

¹ Department of Chemistry, Michigan State University, East Lansing, Michigan 48824-1322, USA.

PMID: 12590555
DOI: 10.1021/ja027241m

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.