An experimental and theoretical approach to phosphonodithioato complexes: molecular orbital analysis by hybrid-DFT and EHT calculations on trans-bis[O-alkyl-phenylphosphonodithioato]NiII, and vibrational assignments

The synthesis and the full spectroscopic characterization (FT-IR, FT-Raman, 31P CP MAS NMR) of trans-bis[O-ethyl-phenylphosphonodithioato]NiII (3) are reported. On the basis of hybrid-Density Funct...

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