title: Electronic structure and geometries of o-carborane derived cyclic structures [{μ-1,2-(C2B10H10)(n)M(n)}Ag(m)]z-, M = {Au, Hg}, n = {3, 4}, m = {0, 1, 2}, z = {n-m, -m}.
abstract: To date, crystal structures of the cyclic mercury complexes [μ-1,2-(C(2)B(10)H(10))(n)Hg(n)], with n = {3, 4}, have been found. However, the same structures substituting Hg by Au, which implies a charge z = {-3, -4} for n = {3, 4} respectively, have not been found. In this work, we present geometrical and electronic structure properties of the title structures [μ-1,2-(C(2)B(10)H(10))(n)M(n)](z-), M = {Au, Hg}, n = {3, 4}, z = {n, 0}, and study the stability of structures with one and two added Ag(+) ions.
authors.affiliation: Departamento de Química Inorgànica and Institut de Química Teòrica i Computacional, Universitat de Barcelona, Diagonal 647, 08028 Barcelona, Spain.
authors.forename: Gabriel
authors.initials: G
authors.lastname: Aullón
authors.forename: Antonio
authors.initials: A
authors.lastname: Laguna
authors.forename: Josep M
authors.initials: JM
authors.lastname: Oliva