ENDOR-determined solvation structure of VO/sup 2 +/ in frozen solutions
Journal Article
·
· Inorg. Chem.; (United States)
The solvation structure of the vanadyl ion (VO/sup 2 +/) in methanol and in water-methanol mixtures has been investigated by application of /sup 1H/ and /sup 13/C electron nuclear double resonance (ENDOR) spectroscopy. The ligand origins of the proton ENDOR resonances have been assigned with use of materials selectively enriched with /sup 2/H. The principal hyperfine coupling (hfc) components of both /sup 1/H and /sup 13/C in solvent molecules coordinated to the VO/sup 2 +/ ion have been determined by analysis of the H/sub 0/ dependence of the ENDOR spectra. The ENDOR results provide unambiguous evidence that in water-methanol mixtures only VO(H/sub 2/O)/sub 5//sup 2 +/ and (VO(H/sub 2/O)/sub 4/(CH/sub 3/OH))/sup 2 +/ species are formed. In pure methanol the VO(CH/sub 3/OH)/sub 5//sup 2 +/ species is observed. The coordination geometries of the VO/sup 2 +/ complexes are deduced from ENDOR estimates of metal-nucleus distances by using computer-based molecular graphics. It is shown on the basis of molecular modeling that the ENDOR-determined metal-nucleus distances are best accounted for by complexes of tetragonal-pyramidal geometry. 29 references, 9 figures, 7 tables.
- Research Organization:
- Univ. of Chicago, IL (USA)
- OSTI ID:
- 6181224
- Journal Information:
- Inorg. Chem.; (United States), Journal Name: Inorg. Chem.; (United States) Vol. 27:19; ISSN INOCA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
400202 -- Isotope Effects
Isotope Exchange
& Isotope Separation
ALCOHOLS
BARYONS
CARBON 13
CARBON ISOTOPES
DATA
DEUTERIUM
ELEMENTARY PARTICLES
ENDOR
EVEN-ODD NUCLEI
EXPERIMENTAL DATA
FERMIONS
HADRONS
HYDROGEN ISOTOPES
HYDROXY COMPOUNDS
INFORMATION
ISOTOPES
LABELLED COMPOUNDS
LIGHT NUCLEI
MAGNETIC RESONANCE
METHANOL
NUCLEAR MAGNETIC RESONANCE
NUCLEI
NUCLEONS
NUMERICAL DATA
ODD-ODD NUCLEI
ORGANIC COMPOUNDS
PROTONS
RESONANCE
STABLE ISOTOPES
TRANSITION ELEMENT COMPOUNDS
VANADIUM COMPOUNDS
400201* -- Chemical & Physicochemical Properties
400202 -- Isotope Effects
Isotope Exchange
& Isotope Separation
ALCOHOLS
BARYONS
CARBON 13
CARBON ISOTOPES
DATA
DEUTERIUM
ELEMENTARY PARTICLES
ENDOR
EVEN-ODD NUCLEI
EXPERIMENTAL DATA
FERMIONS
HADRONS
HYDROGEN ISOTOPES
HYDROXY COMPOUNDS
INFORMATION
ISOTOPES
LABELLED COMPOUNDS
LIGHT NUCLEI
MAGNETIC RESONANCE
METHANOL
NUCLEAR MAGNETIC RESONANCE
NUCLEI
NUCLEONS
NUMERICAL DATA
ODD-ODD NUCLEI
ORGANIC COMPOUNDS
PROTONS
RESONANCE
STABLE ISOTOPES
TRANSITION ELEMENT COMPOUNDS
VANADIUM COMPOUNDS