15748-39-7Relevant articles and documents
The solution structure and fluxional behaviour of cyclic and acyclic (diene)Fe(CO)2L complexes (L = phosphine, phosphite, isonitrile)
Howell, James A. S.,Walton, Gary,Tirvengadum, Marie-Claire,Squibb, Adrian D.,Palin, Michael G.,et al.
, p. 91 - 123 (2007/10/02)
Variable temperature 13C and 31P NMR spectroscopy has been used to establish solution structures and conformer populations for a variety of cyclic and acyclic (diene)Fe(CO)2L complexes (L = phosphine, phosphite, isonitrile).The solid state structures of (2,3-dimethylbutadiene)Fe(CO)2PPh3 and (trans,trans-2,4-hexadiene)Fe(CO)2PPh3 have been determined and used as a basis for molecular modelling of steric effects in these complexes.
DIENE-METAL ? BONDING. SOME UNEXPECTED EFFECTS OF GROUP 5 DONOR LIGANDS ON CARBON-13 NUCLEAR MAGNETIC RESONANCE PARAMETERS AND X-RAY CRYSTAL STRUCTURES
Pearson, Anthony J.,Raithby, Paul R.
, p. 884 - 891 (2007/10/02)
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 (7) and (8) both crystallise in the monoclinic space group P21/c with Z = 4.The cell parameters are 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).
