Abstract
Simulations were done of the electron paramagnetic resonance (EPR) spectra for bis(N,N-dimethyl-L-alpha-isoleucinato)copper(II) dissolved in deuterated methanol as a function of temperature. They indicated different behaviour of the complex below and above 300 degrees K. The effect was examined by the conformational analysis of the copper(II) complex with a new molecular mechanics force field.
MeSH terms
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Amino Acids / chemistry*
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Copper / chemistry*
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Electron Spin Resonance Spectroscopy
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Hydrophobic and Hydrophilic Interactions
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Isoleucine / analogs & derivatives*
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Isoleucine / chemistry*
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Models, Molecular
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Molecular Conformation
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Organometallic Compounds / chemistry*
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Temperature
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Water / chemistry*
Substances
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Amino Acids
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Organometallic Compounds
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bis(N,N-dimethyl-isoleucinato)copper(II)
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Isoleucine
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Water
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Copper