TY  - JOUR
A1  - Holzberger, Anja
A1  - Holdt, Hans-Jürgen
A1  - Kleinpeter, Erich
T1  - Conformational analysis of mixed oxathia crown ethers and their complexational ability towards Ag(I) and Pd(II) : an experimental solution NMR and theoretical molecular modelling study
N2  - Both the conformation and flexibility of four mixed oxathia crown ethers and their Ag(I) and Pd(II) complexes were studied by H-1 NMR (delta, J, NOE, T-1), C-13 NMR, dynamic 1H NMR spectroscopy and molecular modelling. The stoichiometry and stability constants of the complexes were determined from corresponding Job's plots in the case of Ag(I) complexes as the interchange between free and complexed states was fast on the NMR timescale; interchange for the Pd(II) complexes was sufficiently slow such that distinct sub-spectra were observable for the free and complexed states. In all cases where complexation was observed, 1 : 1 complexes were formed. Global minima structures determined from the modelling studies were analysed with respect to the barriers to ring interconversion, the flexibility of the species in solution and the preferred complexation of Ag(I) and Pd(II) to the sulfur atoms of the crown ethers
Y1  - 2004
UR  - https://publishup.uni-potsdam.de/frontdoor/index/index/docId/15184
SN  - 1477-0520
ER  -