Detailed solvation shell geometry of cupric ion in ethanol determined by electron-spin-echo modulation analysis
- Hokkaido Univ., Sapporo, Japan
The analysis of electron-spin-echo modulation patterns for Cu/sup 2 +/ in variously deuterated ethanol glasses shows that Cu/sup 2 +/ is solvated by six approximately equivalent ethanol molecules with their molecular dipoles oriented toward Cu/sup 2 +/. A distance of >0.03 nm between in-plane and out-of-plane molecules should be distinguishable in this analysis, so a single shell analysis is a good approximation. From specific deuteration studies the average orientation of a first solvation shell ethanol molecule with respect to Cu/sup 2 +/ is deduced. The distance from Cu/sup 2 +/ to the ethanol oxygen is 0.21 nm, that to the hydroxyl proton is 0.26 nm, those to the methylene protons are 0.35 and 0.41 nm, and those to the methyl protons are 0.38, 0.49, and 0.49 nm. The HOC plane is perpendicular to the OCC plane in ethanol, giving a molecular conformation intermediate to the trans and gauche forms.
- OSTI ID:
- 6736262
- Journal Information:
- J. Am. Chem. Soc.; (United States), Journal Name: J. Am. Chem. Soc.; (United States) Vol. 104:6; ISSN JACSA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY
400102* -- Chemical & Spectral Procedures
400201 -- Chemical & Physicochemical Properties
400600 -- Radiation Chemistry
ACOUSTIC ESR
ALCOHOLS
BOND ANGLE
COPPER COMPOUNDS
DATA
DECAY
DEUTERIUM COMPOUNDS
DIPOLE MOMENTS
ELECTRON SPIN RESONANCE
ELECTRONIC STRUCTURE
ETHANOL
EXPERIMENTAL DATA
GEOMETRY
HYDROGEN COMPOUNDS
HYDROXY COMPOUNDS
INFORMATION
LIFETIME
MAGNETIC RESONANCE
MATHEMATICS
MODULATION
NUMERICAL DATA
ORGANIC COMPOUNDS
RESONANCE
SOLVATION
STEREOCHEMISTRY
TRANSITION ELEMENT COMPOUNDS