Why Are Copper(II) Amino Acid Complexes Not Planar in Their Crystal Structures? An ab Initio and Molecular Mechanics Study
This paper presents geometries of copper(II) chelates with l-alanine, l-leucine, and l-N,N-dimethylvaline optimized by the hybrid density functional method B3LYP. According to the molecular quantum mechanics results, a square-planar copper(II) coordination geometry is electronically favored in vacuo...
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| Veröffentlicht in: | Inorganic chemistry 1999-06, Vol.38 (12), p.2764-2774 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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