Partial Separation and Structural Characterization of C84 Isomers by Crystallization of (.eta.2-C84)Ir(CO)Cl(P(C6H5)3)2

作者: Alan L. Balch , Arwa S. Ginwalla , Joong W. Lee , Bruce C. Noll , Marilyn M. Olmstead

DOI: 10.1021/JA00084A106

关键词: CrystallographyGroup 2 organometallic chemistryMoleculeX-ray crystallographyFullereneChemistryRegioselectivitySelectivityCrystal structureChemical bondStereochemistry

摘要: Here we describe the results of reacting Ir(CO)Cl(PPh[sub 3])[sub 2] with C[sub 84]. In this case, not only is there question regioselectivity addition, which was also a factor in 2]/C[sub 70] reaction, but selectivity between isomeric forms 84] itself. prepared by contact arc process and separated from other fullerenes high-pressure liquid chromatography. Treatment saturated benzene solution triply chromatographed sample 21-fold molar excess produced green-brown solution, black crystals ([eta][sup 2]-C[sub 84])Ir(CO)Cl(PPh[sub 2][center dot]4C[sub 6]H[sub 6] were obtained slow diffusion diethyl ether into mixture. The structure complex as determined single-crystal X-ray diffraction study shown. While itself has no crystallographically imposed symmetry, geometry moiety does correspond to that D[sub 2d] (23) isomer. distance along principal axis bisects C(32)-C(53) C(42)-C(43) bonds 9.61 [angstrom], while across two axes are perpendicular 8.34 [angstrom]. Within theremore » 19 different sets C-C for 18 refs.« less

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