Structural investigations on new iron-acyl derivatives of B(C6F5)(3)

Reference:

Anderson, G. D. W., Boys, O. J., Cowley, A. R., Green, J. C., Green, M. L. H., Llewellyn, S. A., von Beckh, C. M., Pascu, S. I. and Vei, I. C., 2004. Structural investigations on new iron-acyl derivatives of B(C6F5)(3). Journal of Organometallic Chemistry, 689 (24), pp. 4407-4419.

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Official URL:

http://dx.doi.org/10.1016/j.jorganchem.2004.07.013

Abstract

Reactions between [Fe(eta-C5H5)(MeCO)(CO)(L)], L = PPh3 (1), PMe3 (2), PPhMe2 (3), PCy3 (4), CO (5), and B(C6F5)(3) give new complexes [Fe(eta-C5H5){MeCOB(C6F5)(3)}(CO)(L)] L = PPh3 (7), PMe3 (8), PPhMe2 (9), PCY3 (10), CO (11), where B(C6F5)(3) coordinates selectively to the O-acyl groups. Hydrolysis of 7 gives [Fe(eta-C5H5){HOB(C6F5)(3)}(CO)(PPh3)] (6). The X-ray structures of 6, 8 and 11 have been determined. Calculations, using density functional theory, demonstrate that the charge transfer to the acyl group on Lewis acid coordination is more significant in the sigma than the pi system. Both effects lead to a lengthening of the acyl C-O bond thus pi populations cannot be inferred from the distance changes.

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