Bose, Moumita ; Moula, Golam ; Sarkar, Sabyasachi (2013) Electronic structure of monodithiolated iron—oxotungsten heterometallic complexes: integer-spin Fe—W assembly Chemistry - An Asian Journal, 8 (6). pp. 1128-1138. ISSN 1861-4728
Full text not available from this repository.
Official URL: http://onlinelibrary.wiley.com/doi/10.1002/asia.20...
Related URL: http://dx.doi.org/10.1002/asia.201300245
Abstract
Fe—W heterometallic complexes, in which an FeX2 (X=Cl, SPh) moiety is attached to monodithiolene oxotungsten through a sulfide bridge, that is, [Ph4P]2[Cl2Fe(S)2WOS2] (1), [Ph4P]2[Cl2Fe(S)2WOS2(DMED)] (2, DMED=dimethylethylenedicarboxylate), [Ph4P]2[Cl2Fe(S)2WO(tdt)] (3, tdt=toluenedithiolate), [Ph4P]2[(SPh)2Fe(S)2WO(tdt)] (4), and [Ph4P]2[Cl2Fe(S)2WO(edt)] (5, edt=ethanedithiolate), are reported. Mössbauer and EPR spectroscopy, magnetism, electrochemistry, and electronic structural analysis based on DFT and TD-DFT calculations show the transfer of electron from the iron center to the tungsten center, thus resulting in a ferromagnetically coupled FeIIIWV unit, along with antiferromagnetic intermolecular interactions, from the starting FeII and WVI compounds. A net spin of a S=3 ground state, which arises from ferromagnetically coupled FeIII and WV atoms, displays a rare X-band EPR in normal mode at g≈7 in the solid state.
Item Type: | Article |
---|---|
Source: | Copyright of this article belongs to John Wiley and Sons. |
Keywords: | Density Functional Calculations; Heterometallic Complexes; Iron; Magnetism; Tungsten |
ID Code: | 98311 |
Deposited On: | 14 May 2014 10:22 |
Last Modified: | 14 May 2014 10:22 |
Repository Staff Only: item control page