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Data From: Structure And Bonding In [Sb@In8sb12]3− And [Sb@In8sb12]5−, Alexander I. Boldyrev, Nikolay Tkachenko
Data From: Structure And Bonding In [Sb@In8sb12]3− And [Sb@In8sb12]5−, Alexander I. Boldyrev, Nikolay Tkachenko
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We report the characterization of the compound [K([2.2.2]crypt)]4[In8Sb13], which proves to contain a 1:1 mixture of [Sb@In8Sb12]3− and [Sb@In8Sb12]5−. The tri-anion displays perfect Th symmetry, the first completely inorganic molecule to do so, and contains eight equivalent In3+ centers in a cube. The gas-phase potential energy surface of the penta-anion has eight equivalent minima where the extra pair of electrons is localized on one In+ center, and these minima are linked by low-lying transition states where the electron pair is delocalized over two adjacent centers. The best fit to the electron density is obtained from a model where the structure …
Data From: All-Metal Σ-Antiaromaticity In Dimeric Cluster Anion {[Cuge9mes]2}4−, Alexander I. Boldyrev, Nikolay Tkachenko
Data From: All-Metal Σ-Antiaromaticity In Dimeric Cluster Anion {[Cuge9mes]2}4−, Alexander I. Boldyrev, Nikolay Tkachenko
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In this work, we report a dimeric cluster anion, {[CuGe9Mes]2}4−, which was isolated as the [K(2,2,2-crypt)]+ salt and characterized by using single-crystal X-ray diffraction and ESI mass spectroscopy. The title cluster represents the first locally σ-antiaromatic compound in the solid state, as well as the first heteroatomic antiaromatic compound.