非表示:
キーワード:
MOLECULAR-DYNAMICS SIMULATION; LANTHANIDE IONS LN(3+); AQUEOUS-SOLUTION;
EPRzero-field splitting; Redfield's relaxation theory; EPR line widths;
要旨:
The EPR line widths of [Gd(H2O)(8)](3+) measured in water at various magnetic fields by Merbach's group have been reinterpreted. A theoretical model of the transverse electronic relaxation is proposed, All the terms of the static zero-field splitting (ZFS) allowed by the symmetry of the complex are included and shown to have a significant contribution. The influence of a transient distortion ZFS is also studied.
