Small cobalt and nickel metallocarboranes from 2,3-dicarbahexaborane(8) and 1,6-dicarbahexaborane(6). Sandwich complexes of the cyclic C2B3H72- and C2B3H54- ligands

The bonding characteristics and electronic and magnetic properties of organometallic sandwich clusters and nanowires

“…Multidecked sandwich poly‐ferrocene clusters and lanthanide organometallic sandwich molecular wires have also been successfully synthesized . With the deepening of the study, inorganic sandwich complexes have also entered the line of the researchers, the ligand molecules like fullerene C 60 (C 70 ) as well as their derivatives, carbon‐free rings E n (E = Al, B, N, P, As, Sb; n = 4, 5, 6), cyclotriborazane, B 3 N 3 H 6 , cyclocarborane (C 3 B 2 H 5 , C 2 B 3 H 5 , and C 2 Si 3 H 5 ), and cage‐type carborane ligands C 2 B 9 H 11 can form sandwich‐like complexes with metal atoms as well.…”

Theoretical Exploration of the Layered Sandwich Cobaltacarborane as a Multi-State NLO Molecular Switch Triggered by Redox

“…All calculations were performed by the Gaussian 09 program package . On the basis of the X-ray data, − geometries were optimized without symmetry restriction by the functional B3LYP. Although other possible rotamer configurations were also optimized, they evolve to the final reported ones.…”

“…These ligands adopt a six-electron binding mode to bond with metals; they are electronic analogues of C 5 H 5 – and C 6 H 6 . Because of the higher negative charge and the lower electronegativity of boron in comparison with carbon, they coordinate to metals much more tightly and with greater versatility, compared with the corresponding hydrocarbon rings. − Significantly, the sandwich metallacarboranes are remarkably versatile, accommodating a wide range of metals and organic substituents; they are soluble in most of organic solvents and typically resistant to air and moisture. They can be reversibly oxidized and reduced; in many cases, they are paramagnetic, exhibiting substantial electron delocalization of the unpaired electrons between metal centers .…”

Computational study on second-order nonlinear optical (NLO) properties of a novel class of two-dimensional Λ- and W-shaped sandwich metallocarborane-containing chromophores

“…The triple-decker sandwich metallocarboranes have been investigated since 1970's, primarily on their electronic interactions and metalemetal communication [25,26]. The transition-metal sandwich complexes incorporating bifacially coordinated C 2 B 3 planar carborane rings form a large and varied family of generally air-stable, highly robust systems that feature multidecker stacking.…”