(i) The carbon-carbon bond length of coordinated ethylene in Ti(15-C5Me5)2(1²-C₂H4) is 1.44 Å, as determined by X-ray crystal structure analysis. Computational quantum mechanical modelling of the reactive intermediate [Ti(n5-Cp)2Me(n²-C₂H4)]* gives a carbon- carbon bond length of 1.34 Å for the coordinated ethylene ligand. Rationalise this difference in bond length. Sketch relevant molecular orbitals. (C5Me5 = pentamethylcyclopentadienyl)

Chemistry: Principles and Practice
3rd Edition
ISBN:9780534420123
Author:Daniel L. Reger, Scott R. Goode, David W. Ball, Edward Mercer
Publisher:Daniel L. Reger, Scott R. Goode, David W. Ball, Edward Mercer
Chapter20: Chemistry Of Hydrogen, Elements In Group 3a Through 6a, And The Noble Gases
Section: Chapter Questions
Problem 20.26QE
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Organometallic chemistry

 

(b) Answer both sections (i) and (ii).
(i) The carbon-carbon bond length of coordinated ethylene in
Ti(15-C5Me5)2(n²-C₂H4) is 1.44 Å, as determined by X-ray crystal
structure analysis. Computational quantum mechanical modelling of
the reactive intermediate [Ti(n5-Cp)₂Me(n²-C₂H4)]* gives a carbon-
carbon bond length of 1.34 Å for the coordinated ethylene ligand.
Rationalise this difference in bond length. Sketch relevant molecular
orbitals. (C5Me5 = pentamethylcyclopentadienyl)
(ii) The reaction of Nb(CH₂CMe3)3Cl2 with two equivalents of LiCH₂CMe3
leads to the formation of compound F, LiCl and one equivalent of
neopentane CMe4. Reaction of compound F with benzaldehyde,
Ph-CHO, produces the olefin PhCH=CHCMe3 and
[Nb(CH₂CMe3)3O]n. Give the structural formula of compound F and
outline the reaction mechanism for the formation of PhCH=CHCMe3.
Transcribed Image Text:(b) Answer both sections (i) and (ii). (i) The carbon-carbon bond length of coordinated ethylene in Ti(15-C5Me5)2(n²-C₂H4) is 1.44 Å, as determined by X-ray crystal structure analysis. Computational quantum mechanical modelling of the reactive intermediate [Ti(n5-Cp)₂Me(n²-C₂H4)]* gives a carbon- carbon bond length of 1.34 Å for the coordinated ethylene ligand. Rationalise this difference in bond length. Sketch relevant molecular orbitals. (C5Me5 = pentamethylcyclopentadienyl) (ii) The reaction of Nb(CH₂CMe3)3Cl2 with two equivalents of LiCH₂CMe3 leads to the formation of compound F, LiCl and one equivalent of neopentane CMe4. Reaction of compound F with benzaldehyde, Ph-CHO, produces the olefin PhCH=CHCMe3 and [Nb(CH₂CMe3)3O]n. Give the structural formula of compound F and outline the reaction mechanism for the formation of PhCH=CHCMe3.
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