Construction of Heterometallic Cubanes

Incorporation of M(CO)(3) fragments by trinuclear Ti complexes [{Ti(3)Cp<![IGNORE[$\curr {\brol{{\stern}}{3}}$]]>(µ(3)-CR)}(µ-O)(3)] and [{Ti(3)Cp<![IGNORE[$\curr {\brol{{\stern}}{3}}$]]>(µ(3)-N)}(µ-NH)(3)] (Cp*=eta(5)-C(5)Me(5)) leads to the formation of an unprecedented class of heterometallic clusters with cubane structure [e.g., Eq. (a)]. Density functional calculations on these complexes indicate the existence of electron delocalization in the Ti(3)M cores (M=Cr, Mo, W).