Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: Copper(I) tetra(acetonitrile) tetrafluoroborate, is researched, Molecular C8H12BCuF4N4, CAS is 15418-29-8, about Scrutinizing “”Ligand Bands”” via Polarized Single-Crystal X-ray Absorption Spectra of Copper(I) and Copper(II) Bis-2,2′-bipyridine Species.Computed Properties of C8H12BCuF4N4.
High-energy resolution fluorescence-detected Cu K-edge x-ray absorption spectroscopy (XAS) and single-crystal polarized XAS data are presented toward refining the assignments of bands assigned as excitations from Cu 1s to ligand-localized MOs. These were previously dubbed XAS-metal-ligand charge transfer (XAS-MLCT) bands. Data are presented for [Cu(xbpy)2]n+ complexes (xbpy = 2,2′-bipyridine (1n+), 4,4′-bisamino-2,2′-bipyridine (2n+), and 4,4′-dimethoxy-2,2′-bipyridine (3n+); n = 1 and 2). Dipolar dependencies of these XAS-MLCT bands in both Cu1+ and Cu2+ species lead to reassignment of these features as owing their intensities primarily to Cu 1s → Cu 4p excitations. The transition densities are Cu-localized, highlighting that XAS-MLCT features in Cu XAS spectra are not charge transfer transitions but rather quasi-at. transitions. Although scrutiny of the acceptor orbitals supports assignment as Cu 1s → ligand π* transitions, it ultimately appears that while the ligand orbital energetics govern the positions of these bands the intensity is conferred through a small degree of metal 4p mixing into otherwise ligand-dominated acceptor MOs. Single-crystal polarized Cu K-edge x-ray absorption spectra are presented toward refining an assignment of transitions that involve ligand-dominated MOs.
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