Relationships between Fe NMR, Mössbauer parameters, electrochemical properties and the structures of ferrocenylketimines |
| |
Authors: | Concepció n Ló pez,Ramon Bosque,Anna Roig,Xavier Solans |
| |
Abstract: | A comparative study of the electrochemical properties, 57Fe NMR and Mössbauer spectroscopic data of compounds [(η5-C5H5)Fe{(η5-C5H4)-C(R1) N-R2}] {R1 = H, R2 = CH2-CH2OH (1a), CH(Me)-CH2OH (1b), CH2C6H5 (1c), C6H4-2Me (1d), C6H4-2SMe (1e) or C6H4-2OH (1f) and R1 = C6H5, R2 = C6H4-2Me (2d)} is reported. The X-ray crystal structure of [(η5-C5H5)Fe{(η5-C5H4)-CH N-C6H4-2OH}] (1f) is also described. Density functional theoretical (DFT) studies of these systems have allowed us to examine the effects induced by the substituents of the “-C(R1) N-R2” moiety or the aryl rings (in 1d-1f) upon the electronic environment of the iron(II) centre. |
| |
Keywords: | 57Fe NMR Ferrocenyl Schiff bases Mö ssbauer spectra Electrochemical properties DFT calculations |
本文献已被 ScienceDirect 等数据库收录! |
|