Articles with "iii terephthalate" as a keyword



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Computational study of [(phenanthroline)2FeII/III–(terephthalate)–CoIII/II(phenanthroline)2]3+ binuclear complex

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Published in 2019 at "Structural Chemistry"

DOI: 10.1007/s11224-019-01442-6

Abstract: Bistability of the proposed [(phenanthroline)2FeII/III–(terephthalate)–CoIII/II(phenanthroline)2]3+ binuclear complex, arising from intramolecular FeII/III ↔ CoIII/II charge transfer, is investigated based on energetics, geometries, atomic charges, electric polarizabilities, and IR and UV-Vis spectra obtained computationally at (TD)DFT-B3LYP/LANL2DZ level… read more here.

Keywords: coiii; 2feii iii; iii terephthalate; phenanthroline ... See more keywords
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Computational Spectroscopic Characterization of a Bistable Binuclear Complex [(CO)2(benzoate)FeII/III(terephthalate)CoIII/II(benzoate)(CO)2]+

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Published in 2018 at "Australian Journal of Chemistry"

DOI: 10.1071/ch18044

Abstract: Electric dipole moments, polarizabilities, and IR, Raman, optical rotatory dispersion, and electronic and vibrational circular dichroism spectra of the four cis–trans isomers of the proposed [(CO)2(benzoate)FeII/III(terephthalate)CoIII/II(benzoate)(CO)2]+ binuclear complex, having bistablity due to intramolecular charge transfer… read more here.

Keywords: iii terephthalate; benzoate; benzoate feii; feii iii ... See more keywords