Title
Absolute configurational assignment of serf-organizing asymmetric tripodal ligand-metal complexes
Date Issued
20 October 1997
Access level
metadata only access
Resource Type
journal article
Author(s)
Xu X.
Berova N.D.
Canary J.W.
New York University
Abstract
The solution configuration of labile coordination complexes may be difficult to determine, even in cases in which the solid state structure is known. We have previously synthesized a series of chiral ligands which form pseudo-C3-symmetric complexes with Zn(II) and Cu(II) salts that possess an available electrophilic coordination site. Molecular modeling of Zn(II) complexes of the chiral ligand N,N-bis[(2-quinolyl)methyl]1-(2- pyridyl)ethanamine (α-MeBQPA) showed that the spatial arrangement of the heterocyclic arms is controlled by a substituent on one methylene arm, resulting in the adoption of an enantiomeric conformation displaying a propeller-like asymmetry. In this paper we report the application of the exciton chirality method to the determination of the conformation of asymmetric metal-ligand complexes in solution. There is a good correlation between the predicted and the observed Cotton effects, demonstrating that the geometry in solution closely resembles that predicted by computational simulations and those obtained by X-ray crystallographic studies of metal complexes with racemic and enantiomerically pure ligands. The X-ray crystallographic structure of the first optically pure complex in this series is reported.
Start page
616
End page
622
Volume
9
Issue
June 5
Language
English
OCDE Knowledge area
Ingeniería química
Scopus EID
2-s2.0-0030955205
PubMed ID
Source
Chirality
ISSN of the container
08990042
Sources of information: Directorio de Producción Científica Scopus