TY - JOUR
T1 - Comparison of the Molecular Structures and Solution Stereodynamics of (diene)Fe(CO)2L Complexes (L = CO, PPh3, P(OMe)3, PMe3, NMe3, Pyridine, CNMe)
AU - Howell, James A.S.
AU - Bell, Andrew G.
AU - Cunningham, Desmond
AU - McArdle, Patrick
AU - Albright, Thomas A.
AU - Goldschmidt, Zeev
AU - Gottlieb, Hugo E.
AU - Hezroni-Langerman, Dafna
PY - 1993
Y1 - 1993
N2 - Several (diene)Fe(CO)2L complexes (1b-g) of methyl 5-formyl-2,4-pentadienoate have been structurally characterized in solution and the solid state. Crystal structures of 1e,f (L = NMe3, PMe3) allow a direct stereochemical comparison of NMe3 and PMe3 ligands in otherwise isostructural compounds. In solution, complex 1d (L = pyridine) undergoes differential rates of axial/basal and basal/basal exchange which are not observed with the phosphite or isonitrile complexes (1c,g). A theoretical interpretation of this phenomenon is presented. Crystal structure data: 1d, monoclinic, space group P21/n, a = 8.417(1) Å, b = 9.147(2) Å, c = 19.235(3) Å, β = 98.84(2)°, Z = 4, Rw = 0.041 for 191 parameters using 2575 observed reflections; 1e, monoclinic, space group P21/n, a = 15.167(4) Å, b = 8.048(3) Å, c = 26.334(9) Å, Z = 8, Rw = 0.082 for 344 parameters using 2691 observed reflections; If, triclinic, space group P1̅, a = 7.984(1) Å, b = 12.439(2) Å, c = 16.249(3) Å, α = 110.85(2)°, β = 90.48(2)°, γ = 101.13(2)°, Z = 4, Rw = 0.062 for 341 parameters using 2468 observed reflections.
AB - Several (diene)Fe(CO)2L complexes (1b-g) of methyl 5-formyl-2,4-pentadienoate have been structurally characterized in solution and the solid state. Crystal structures of 1e,f (L = NMe3, PMe3) allow a direct stereochemical comparison of NMe3 and PMe3 ligands in otherwise isostructural compounds. In solution, complex 1d (L = pyridine) undergoes differential rates of axial/basal and basal/basal exchange which are not observed with the phosphite or isonitrile complexes (1c,g). A theoretical interpretation of this phenomenon is presented. Crystal structure data: 1d, monoclinic, space group P21/n, a = 8.417(1) Å, b = 9.147(2) Å, c = 19.235(3) Å, β = 98.84(2)°, Z = 4, Rw = 0.041 for 191 parameters using 2575 observed reflections; 1e, monoclinic, space group P21/n, a = 15.167(4) Å, b = 8.048(3) Å, c = 26.334(9) Å, Z = 8, Rw = 0.082 for 344 parameters using 2691 observed reflections; If, triclinic, space group P1̅, a = 7.984(1) Å, b = 12.439(2) Å, c = 16.249(3) Å, α = 110.85(2)°, β = 90.48(2)°, γ = 101.13(2)°, Z = 4, Rw = 0.062 for 341 parameters using 2468 observed reflections.
UR - http://www.scopus.com/inward/record.url?scp=0003464753&partnerID=8YFLogxK
U2 - 10.1021/om00031a026
DO - 10.1021/om00031a026
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AN - SCOPUS:0003464753
SN - 0276-7333
VL - 12
SP - 2541
EP - 2548
JO - Organometallics
JF - Organometallics
IS - 7
ER -