| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5385039 | Chemical Physics Letters | 2010 | 6 Pages |
Abstract
⺠The results from PBE1PBE density functional obtained for the compound (Ind)2Ti(CH3)2 agree with X-ray diffraction data. ⺠The dimethyl-bis(indenyl) titanium, less stable than the dimethyl-bis(cyclopentadienyl) titanium, has fewer number of bond paths than the latter. ⺠The bis(cyclopentadienyl) iron, more stable than bis(cyclopentadienyl) titanium, has more number of bond paths than the latter. ⺠The number of bond paths can be used as an indicative of stability of metallocenes.
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Authors
Caio L. Firme, Daniel de L. Pontes, Octávio A.C. Antunes,