Abstract
The effect of removing two protons, hydrogen atoms, or hydrides from the stable icosahedral B(12)H(12)(2-) is investigated theoretically. The resulting B(12)H(10)(q) (q = 4-, 2-, 0) isomers show interesting and understandable bond distance and stability variations, as well as special deformations associated with the apex-ring configuration typical of the underlying polyhedron. The dianions are analogous to o-, m-, and p-benzyne and have the special feature of distinct singlet and triplet states not far removed from each other in energy.
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