Staff Publications

Staff Publications

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    'Staff publications' is the digital repository of Wageningen University & Research

    'Staff publications' contains references to publications authored by Wageningen University staff from 1976 onward.

    Publications authored by the staff of the Research Institutes are available from 1995 onwards.

    Full text documents are added when available. The database is updated daily and currently holds about 240,000 items, of which 72,000 in open access.

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Record number 326834
Title Copper (II) diamino acid complexes: Quantum chemical computations regarding diastereomeric effects on the energy of complexation
Author(s) Zuilhof, H.; Morokuma, K.
Source Organic Letters 5 (2003)17. - ISSN 1523-7060 - p. 3081 - 3084.
Department(s) Organic Chemistry
Publication type Refereed Article in a scientific journal
Publication year 2003
Keyword(s) molecular-mechanics - ultrafiltration - separation
Abstract Quantum chemical calculations were used to rationalize the observed enantiodifferentiation in the complexation of alpha-amino acids to chiral Cu(II) complexes. Apart from Cu(II)-pi interactions and steric repulsions between the anchoring cholesteryl-Glu moiety and an aromatic amino acid R group, hydrogen bonding also plays a role. In fact, in the case of tryptophan, C=O...H-N hydrogen bonding between the glutamate moiety and the tryptophan N-H group compensates for the loss of intramolecular hydrogen-bonding and diminished Cu(II)-pi interactions.
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