Triple-decker complex CpCo(μ-C<inf>3</inf>B<inf>2</inf>Me <inf>5</inf>)Rh(C<inf>2</inf>H<inf>4</inf>)<inf>2</inf> Synthesis, structure and bonding

A.S. Romanov, D.V. Muratov, T.V. Timofeeva, A.R. Kudinov

Research output: Contribution to journalArticlepeer-review


Abstract The reaction of the thallium derivative [CpCo(μ-C3B2Me5)]Tl with [Rh(C2H4)2Cl]2 affords the μ-diborolyl bis(ethylene) triple-decker complex CpCo(μ-C3B2Me5)Rh(C2H4)2 (4). Structure of 4 was determined by X-ray diffraction. According to DFT calculations, the ethylene dissociation energies for the triple-decker complexes CpCo(μ-C3B2R5)Rh(C2H4)2 (R = H, Me) are ca. 6 kcal mol−1 lower than for cyclopentadienyl analogs (C5R5)Rh(C2H4)2. Energy decomposition analysis revealed that the bonding of anions [CpCo(C3B2R5)]− with [Rh(C2H4)2]+ is also weaker than that of [C5R5]−; the attractive interactions in both cases are 60–63% electrostatic and 37–40% covalent. The electrostatic potentials at the Rh nuclei suggest that the donor ability of the anions increases in the following order: Cp < [CpCo(C3B2H5)] ⩽ [CpCo(C3B2Me5)] < Cp∗. Graphical abstract The triple-decker complex CpCo(µ-C3B2Me5)Rh(C2H4)2 (4) was synthesized with high yield and structurally characterized. DFT calculation shows that Rh–C2H4 bonding in 4 is 10 kcal mol–1 weaker compared to CpRh(C2H4)2.
Original languageEnglish
Pages (from-to)120-123
Number of pages4
JournalInorganica Chimica Acta
Publication statusPublished - 2014


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