Topological study of bis(cyclopentadienyl) titanium and bent titanocenes

► The results from PBE1PBE density functional obtained for the compound (Ind)2Ti(CH3)2 agree with X-ray diffraction data. ► The dimethyl-bis(indenyl) titanium, less stable than the dimethyl-bis(cyclopentadienyl) titanium, has fewer number of bond paths than the latter. ► The bis(cyclopentadienyl) iron, more stable than bis(cyclopentadienyl) titanium, has more number of bond paths than the latter. ► The number of bond paths can be used as an indicative of stability of metallocenes.