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Title: Evidence of symmetry breaking in a Gd 2 di-nuclear molecular polymer
A chiral 3D coordination compound, [Gd 2 (L) 2 (ox) 2 (H 2 O) 2 ], arranged around a dinuclear Gd unit has been characterized by X-ray photoemission and X-ray absorption measurements in the context of density functional theory studies. Core level photoemission of the Gd 5p multiplet splittings indicates that spin orbit coupling dominates over j–J coupling evident in the 5p core level spectra of Gd metal. Indications of spin–orbit coupling are consistent with the absence of inversion symmetry due to the ligand field. Density functional theory predicts antiferromagnet alignment of the Gd 2 dimers and a band gap of the compound consistent with optical absorption.  more » « less
Award ID(s):
2003057
NSF-PAR ID:
10454920
Author(s) / Creator(s):
; ; ; ; ; ; ; ; ;
Date Published:
Journal Name:
Physical Chemistry Chemical Physics
Volume:
25
Issue:
8
ISSN:
1463-9076
Page Range / eLocation ID:
6416 to 6423
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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