Abstract
Time-dependent density functional theory shows that the photoreactivities of copper and zinc metalloenediynes derive from multi-configurational excited states involving the enediyne and pyridine pi systems.
Publication types
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Research Support, U.S. Gov't, P.H.S.
MeSH terms
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Alkynes / chemistry*
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Copper / chemistry*
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Models, Molecular
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Molecular Conformation
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Molecular Structure
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Pyridines / chemistry*
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Zinc / chemistry*
Substances
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Alkynes
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Pyridines
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Copper
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Zinc
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pyridine