Quantum-mechanical study of state and structure of diphenylcarbazide and its reaction with chromium
The detection and determination of chromium in chromium-containing wastewaters is very important in practice due to the application of chromium on an industrial scale. A quantitative determination of chromium is also important from the ecological point of view, since chromium (VI) compounds are carcinogenic. This paper studies the state of the reagent diphenylcarbazide (DPC) and its oxidation products in different media, the structure of DPC, and its reaction with chromium ions in an acidic medium by a combination of quantum-mechanical and spectrophotometric methods. It is shown that in weakly acidic or neutral media, DPC exists preferentially in a keto form. Free-valence indexes were calculated to explain the high reactivity of DPC and ease of conversion into diphenylcarbonzone (DPCone) in an alkaline medium. A structure of the complex of chromium (III) with DPCone was proposed and it was shown that the ligands in the complex are present in both keto and enol forms, the latter form predominating.
- Research Organization:
- M.V. Lomonosov Moscow State Univ
- OSTI ID:
- 7025683
- Journal Information:
- J. Anal. Chem. USSR (Engl. Transl.); (United States), Journal Name: J. Anal. Chem. USSR (Engl. Transl.); (United States) Vol. 39:11,PT.1; ISSN JACUA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
400102 -- Chemical & Spectral Procedures
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520200* -- Environment
Aquatic-- Chemicals Monitoring & Transport-- (-1989)
54 ENVIRONMENTAL SCIENCES
CARBAZONES
CARBONIC ACID DERIVATIVES
CHEMICAL ANALYSIS
CHEMICAL REACTION KINETICS
CHROMIUM
CHROMIUM COMPLEXES
COMPLEXES
COMPLEXOMETRY
DIPHENYLCARBAZONES
DPCA
ELEMENTS
HYDROGEN COMPOUNDS
KINETICS
LIGANDS
LIQUID WASTES
MECHANICS
METALS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
OXYGEN COMPOUNDS
POLLUTION ABATEMENT
QUANTITATIVE CHEMICAL ANALYSIS
QUANTUM MECHANICS
REACTION KINETICS
SPECTROPHOTOMETRY
TRANSITION ELEMENT COMPLEXES
TRANSITION ELEMENTS
WASTE WATER
WASTES
WATER
WATER POLLUTION ABATEMENT