Journal of the Chemical Society, Dalton Transactions p. 884 - 891 (1981)
Update date:2022-08-04
Topics:
Pearson, Anthony J.
Raithby, Paul R.
A number of η4-cyclohexadiene-Fe(CO)2L and η4-2-methoxycyclohexadiene-Fe(CO)2L complexes have been prepared and their 13C n.m.r. spectra recorded.Methoxy-substituent effects suggest a depopulation rather than the expected enhanced population of the diene l.u.m.o. (lowest unoccupied molecular orbital) as the ?-acceptor strength of L decreases.X-Ray crystal-structure determinations for L = PPh3 were in agreement, and an explanation is proposed.Complexes a = 10.289(4), b =24.651(10), c = 9.282(4) Angstroem, and β = 109.37(3)deg for (7) and a = 14.444(7), b =18.052(10), c = 9.229.(4) Angstroem and β = 100.57(4)deg for (8).The structures were solved by a combination of Patterson and Fourier-difference techniques, and refined by blocked-cascade least squares to R = 0.053 for 3 325 unique observed reflections (7) and to R = 0.062 for 2 952 reflections (8).
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Doi:10.1021/ja01252a010
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