Interactions between solvent molecules and the reduced or unreduced forms of silico-molybdic acid studied by ESR and NMR spectroscopies and molecular modelling

Béla Török, Marianna Török, Mária Rózsa-Tarjáni, I. Pálinkó, László I. Horváth, I. Kiricsi, Árpád Molnár

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

H4[SiMo12O40] can take part in redox reactions as well as electrophilic transformations. The reduction of Mo(VI) to Mo(V) in various solvents was followed by ESR spectroscopy. The spectra show significant rhombic splitting, which can be correlated with the dielectric constants of the solvents. Coordination of solvents distorts the symmetry of MoO6 octahedra. Based on the degree of splitting it is suggested that the strength of coordination decreases in the sequence: acetone > ethanol > 1,4-butanediol > acetonitrile > DMSO. The comparison of 95Mo NMR chemical shift data obtained in various solvents and the results of modelling solvent-solute interactions indicated, however, that dimethyl sulfoxide (DMSO) interacts most strongly with the Mo sites of unreduced acid. (C) 2000 Elsevier Science S.A.

Original languageEnglish
Pages (from-to)77-83
Number of pages7
JournalInorganica Chimica Acta
Volume298
Issue number1
DOIs
Publication statusPublished - Jan 30 2000

Fingerprint

Molecular modeling
Nuclear magnetic resonance spectroscopy
Paramagnetic resonance
Magnetic Resonance Spectroscopy
nuclear magnetic resonance
acids
Molecules
Acids
Dimethyl sulfoxide
spectroscopy
molecules
Dimethyl Sulfoxide
interactions
Redox reactions
Chemical shift
Acetone
Acetonitrile
acetone
Oxidation-Reduction
acetonitrile

Keywords

  • Mo NMR
  • Computer modelling
  • ESR
  • Heteropoly acid
  • Molybdenum compounds

ASJC Scopus subject areas

  • Biochemistry
  • Inorganic Chemistry
  • Physical and Theoretical Chemistry
  • Materials Chemistry

Cite this

Interactions between solvent molecules and the reduced or unreduced forms of silico-molybdic acid studied by ESR and NMR spectroscopies and molecular modelling. / Török, Béla; Török, Marianna; Rózsa-Tarjáni, Mária; Pálinkó, I.; Horváth, László I.; Kiricsi, I.; Molnár, Árpád.

In: Inorganica Chimica Acta, Vol. 298, No. 1, 30.01.2000, p. 77-83.

Research output: Contribution to journalArticle

Török, Béla ; Török, Marianna ; Rózsa-Tarjáni, Mária ; Pálinkó, I. ; Horváth, László I. ; Kiricsi, I. ; Molnár, Árpád. / Interactions between solvent molecules and the reduced or unreduced forms of silico-molybdic acid studied by ESR and NMR spectroscopies and molecular modelling. In: Inorganica Chimica Acta. 2000 ; Vol. 298, No. 1. pp. 77-83.
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AU - Pálinkó, I.

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AB - H4[SiMo12O40] can take part in redox reactions as well as electrophilic transformations. The reduction of Mo(VI) to Mo(V) in various solvents was followed by ESR spectroscopy. The spectra show significant rhombic splitting, which can be correlated with the dielectric constants of the solvents. Coordination of solvents distorts the symmetry of MoO6 octahedra. Based on the degree of splitting it is suggested that the strength of coordination decreases in the sequence: acetone > ethanol > 1,4-butanediol > acetonitrile > DMSO. The comparison of 95Mo NMR chemical shift data obtained in various solvents and the results of modelling solvent-solute interactions indicated, however, that dimethyl sulfoxide (DMSO) interacts most strongly with the Mo sites of unreduced acid. (C) 2000 Elsevier Science S.A.

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