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

A. Manohar | Zendy; M. T. Samuel | Zendy; G. H. Beamlak | Zendy; Y. G. Berhane | Zendy; K. Ramalingam | Zendy; Kottamalai Karpagavel | Zendy

Open Access

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

Author(s) -

A. Manohar,

M. T. Samuel,

G. H. Beamlak,

Y. G. Berhane,

K. Ramalingam,

Kottamalai Karpagavel

Publication year - 2018

Publication title -

rasayan journal of chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.281

H-Index - 22

eISSN - 0976-0083

pISSN - 0974-1496

DOI - 10.31788/rjc.2018.1143052

Subject(s) - valence (chemistry) , chromophore , nickel , chemistry , generalized valence bond , valence bond theory , coordination complex , computational chemistry , oxidation state , bond , chemical physics , bond length , crystallography , photochemistry , bond order , catalysis , metal , organic chemistry , molecule , crystal structure , molecular orbital , finance , economics

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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