Journal of Physical Chemistry A, Vol.108, No.47, 10565-10567, 2004
Electronic spectra and DFT calculations of hexanuclear chalcocyanide rhenium clusters
The reaction of one-electron oxidation [Re6Se8(CN)(6)](4-) - [e](-) --> [Re6Se8(CN)(6)](3-) is studied in liquid solution of the hexanuclear cluster compound (NBu4)(4)[Re6Se8(CN)(6)]. The electronic absorption spectra and DFT calculations indicate that the reaction and the final compound (NBu4)(3)[Re6Se8(CN)(6)] production may be accomplished through the excited state of paramagnetic hexanuclear chalcocyanide rhenium clusters.