Infrared and electron spin resonance study of the solvation of nitrosyliron bis-NN-diethyldithiocarbamate

Abstract
The N–O stretching frequency and the e.s.r. parameters, gav and Aiso(14N), have been measured for Fe(NO)(S2CNEt2)2 in 25 solvents. The parameter gav and the frequency v(NO) decrease, whilst Aiso(14N) increases as the solvent interaction increases. It is concluded that interaction is primarily in the vacant axial co-ordination position, that the unpaired electron is in the a1′(dz2) molecular orbital, and that this explains the marked solvent sensitivity. A plot of the measured parameters against the solvent parameter ET shows that, with the exception of the hydrogen-bonding solvents, all solvents fall on a smooth curve.

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