title: Polyhedral borane analogues of the benzynes and beyond: bonding in variously charged B12H10 isomers.
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.
authors.affiliation: Department of Chemistry, Pondicherry University, Pondicherry 605 014, India.
authors.forename: Pattath D
authors.initials: PD
authors.lastname: Pancharatna
authors.forename: Musiri M
authors.initials: MM
authors.lastname: Balakrishnarajan
authors.forename: Eluvathingal D
authors.initials: ED
authors.lastname: Jemmis
authors.forename: Roald
authors.initials: R
authors.lastname: Hoffmann