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HOWELL, JAS,BELL, AG,CUNNINGHAM, D,MCARDLE, P,ALBRIGHT, TA,GOLDSCHMIDT, Z,GOTTLIEB, HE,HEZRONILANGERMAN, D
1993
July
Organometallics
COMPARISON OF THE MOLECULAR-STRUCTURES AND SOLUTION STEREODYNAMICS OF (DIENE)FE(CO)2L COMPLEXES (L=CO, PPH3, P(OME)3, PME3, NME3, PYRIDINE, CNME)
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Optional Fields
TRANSITION-METAL COMPLEXES CARBONYL-TRIFLUOROPHOSPHINE SYSTEMS NUCLEAR MAGNETIC-RESONANCE RAY CRYSTAL-STRUCTURES PHOSPHINE COMPLEXES STEREOCONTROLLED FUNCTIONALIZATION FLUXIONAL BEHAVIOR LIGANDS NICKEL CO
12
2541
2548
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 P2(1)/n, a = 8.417(1) angstrom, b = 9.147(2) angstrom, c = 19.235(3) angstrom, beta = 98.84(2)degrees, Z = 4, R(w) = 0.041 for 191 parameters using 2575 observed reflections; 1e, monoclinic, space group P2(1)/n, a = 15.167(4) angstrom, b = 8.048(3) angstrom, c = 26.334(9) angstrom, Z = 8, R(w) = 0.082 for 344 parameters using 2691 observed reflections; If, triclinic, space group P1BAR, a = 7.984(1) angstrom, b = 12.439(2) angstrom, c = 16.249(3) angstrom, alpha = 110.85(2)degrees, beta = 90.48(2)degrees, gamma = 101.13(2)degrees, Z = 4, R(w) = 0.062 for 341 parameters using 2468 observed reflections.
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