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- Title
Structural Flexibility of Metal Chelate Complexes and Its Relation to Supramolecular Chemistry.
- Authors
Maverick, Andrew W.
- Abstract
Crystal structures of metal chelate and related complexes in the Cambridge Structural Database have been analyzed, with respect to their use as components in supramolecular metal‐organic compounds. In β‐diketonate complexes, the distribution of angles between ligands is relatively broad; other ligands, such as 2,2′‐bipyridine, yield significantly narrower distributions. According to the principle of structure correlation, these distributions reflect the ease of distorting the various families of complexes. A comparison through density functional theory calculations also indicates that angular distortions require significantly less energy for M(β‐diketonate)3 than for M(2,2′‐bipyridine)3. The differences are likely to affect the construction of supramolecular systems from different combinations of metals and ligands, including the likelihood that the desired structures will be obtained.
- Subjects
SUPRAMOLECULAR chemistry; METAL complexes; DENSITY functional theory; ORGANOMETALLIC compounds; CHELATING agents; METAL crystals
- Publication
Helvetica Chimica Acta, 2023, Vol 106, Issue 2, p1
- ISSN
0018-019X
- Publication type
Article
- DOI
10.1002/hlca.202200160