Publication | Closed Access
A Simple Route to Calcium and Strontium Hydride Clusters
105
Citations
39
References
2017
Year
The first strontium hydride complex has been obtained by simply treating Sr[N(SiMe<sub>3</sub> )<sub>2</sub> ]<sub>2</sub> with PhSiH<sub>3</sub> in the presence of PMDTA. The Sr complex Sr<sub>6</sub> H<sub>9</sub> [N(SiMe<sub>3</sub> )<sub>2</sub> ]<sub>3</sub> ⋅(PMDTA)<sub>3</sub> crystallizes as an "inverse cryptand": an interstitial H<sup>-</sup> is surrounded by a Sr<sub>6</sub> H<sub>8</sub><sup>4+</sup> cage decorated with amide and PMDTA ligands. The analogous Ca complex could also be obtained and both retain their solid-state structures in solution: <sup>1</sup> H NMR spectra in C<sub>6</sub> D<sub>6</sub> show two doublets and one nonet (4:4:1). Up to 90 °C, no coalescence is observed. The Ca cluster was investigated by DFT calculations and shows atypically low charges on Ca (+1.14) and H (-0.59) which signifies an unexpectedly low ionicity. AIM analysis shows hydride⋅⋅⋅hydride bond paths with considerable electron densities in the bond critical point. The clusters thermally decompose into larger, undefined, metal hydride aggregates.
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