Valence Bond Sum (VBS) Analysis on Bis(dithiocarbamato) Nickel (II) and Complexes with NiS4 Chromophore

Manohar, A.; Karpagavel, Kottamalai

doi:10.13005/ojc/300147

Cited by 2 publications

(2 citation statements)

References 10 publications

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“…Then, the position of the C=N bond underwent a positive shift. 73,74 All of these results confirmed the chemical adsorption of the DDTC on the AA2024-T3.…”

Section: Resultssupporting

confidence: 62%

Improving the Protection Performance of AA2024-T3 in 3.5 wt% NaCl Solution Using the Synergistic Effect of Cerium Cations and Diethyldithiocarbamate Molecules

Mohammadi

Shahrabi

Mahdavian

et al. 2020

J. Electrochem. Soc.

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In the present work, the synergistic effect of diethyldithiocarbamate (DDTC) molecules and Ce3+ cations on the corrosion inhibition of the 2024-T3 aluminum alloy was assessed by employing surface analysis and electrochemical tests. For this purpose, potentiodynamic polarization, and electrochemical impedance spectroscopy were measured in the presence of Ce3+ cations and DDTC molecules. Also, surface analysis methods were employed to study the mechanisms of the inhibition in the presence of the Ce3+ cations and DDTC molecules. The results showed strong synergism between the DDTC molecules and Ce3+ cations due to the creation of a complex film on the surface of AA2024-T3. The complex film formation on the AA2024-T3 surface was proved using scanning electron microscopy, X-ray photoelectron spectroscopy, and attenuated total reflection Fourier-transform infrared spectroscopy. Also, cathodic inhibition behavior and a wide passivation range attributed to the Ce+DDTC system were illustrated by the potentiodynamic polarization testing.

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“…Then, the position of the C=N bond underwent a positive shift. 73,74 All of these results confirmed the chemical adsorption of the DDTC on the AA2024-T3.…”

Section: Resultssupporting

confidence: 62%

Improving the Protection Performance of AA2024-T3 in 3.5 wt% NaCl Solution Using the Synergistic Effect of Cerium Cations and Diethyldithiocarbamate Molecules

Mohammadi

Shahrabi

Mahdavian

et al. 2020

J. Electrochem. Soc.

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“…H. H. Thorp reported a set of new optimized Rij(T) parameters for Ni +2 -O, Ni +2 -S, Ni +2 -N along with other data derived from isolated model compounds involving such interactions. The use of optimized Rij(T) parameter for Ni-S bond improved the VBS tremendously on the parent bisdithiocarbamates of nickel(II) and the formal oxidation state of nickel is observed to be close to 2.0 17 . A complete survey of the literature till date reveals the fact that no further attempt has been made to provide a new set of improved Rij parameters for Ni-P bond.…”

Section: Resultsmentioning

confidence: 99%

VALENCE BOND SUMS IN COORDINATION CHEMISTRY: CALCULATION OF THE OXIDATION STATE OF NICKEL IN NiS2P2 CHROMOPHORES BY USING A NEW VALENCE BOND PARAMETER

Manohar¹,

Samuel²,

Beamlak³

et al. 2018

RJC

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We have first used valence bond sum method to assign the oxidation state of metal centers in the divalent zinc and cadmium dithiocarbamate complexes and on their adducts. The investigations resulted in an excellent agreement with the formal oxidation state of metal ions in the dithiocarbamate complexes. However, a series of similar investigations on nickel mixed ligand complexes which involve nickel dithiocarbamates and phosphorus donors showed that the calculated oxidation states are far higher than the formal oxidation state of nickel. Hence in order to improve the oxidation state on nickel center, in this study, we report a new valence bond parameter for nickelphosphorus bond as per the procedure described earlier. Using this improved valence bond parameter, we have calculated oxidations states for a series of NiS2P2 chromophoric complexes whose crystal structures have been reported earlier and the formal oxidation state of nickel is observed to be close to +2

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Valence Bond Sum (VBS) Analysis on Bis(dithiocarbamato) Nickel (II) and Complexes with NiS4 Chromophore

Cited by 2 publications

References 10 publications

Improving the Protection Performance of AA2024-T3 in 3.5 wt% NaCl Solution Using the Synergistic Effect of Cerium Cations and Diethyldithiocarbamate Molecules

Improving the Protection Performance of AA2024-T3 in 3.5 wt% NaCl Solution Using the Synergistic Effect of Cerium Cations and Diethyldithiocarbamate Molecules

VALENCE BOND SUMS IN COORDINATION CHEMISTRY: CALCULATION OF THE OXIDATION STATE OF NICKEL IN NiS2P2 CHROMOPHORES BY USING A NEW VALENCE BOND PARAMETER

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