M₃₀C₄₅, a Possible Super-Pentagonal Metallocarbohedrane With D_5h Symmetry

Abstract

A new structure M₃₀C₄₅ is proposed for observed high-mass [M_xC_y]⁺ ions. The structure has D_5h symmetry, is composed only of pentagons of which one is C₅ and 55 are M₂C₃, contains three- and four-coordinate titanium and carbon, and can adapt to different bond distances without strain.