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Orientation selective (OS) RIDME and PELDOR were conducted on a low-spin Co II complex coordinated by two nitroxide (NO) labelled 2,2':6',2''-terpyridine ligands. Co-NO RIDME at W- and Q-band gave insight into the relative orientation between the Co-NO interspin vector (r Co-NO ) and the NO moiety. This was further supported by W-band Co-NO PELDOR that also allowed elucidating the relative orientation of the Co II and NO g-tensors. Differences to earlier predictions were confirmed by DFT calculations. Finally, NO-NO PELDOR allowed retrieving the mutual orientations between the NO-NO interspin vector (r NO-NO ) and the NO moieties. The results demonstrate that OS-RIDME and -PELDOR can provide geometric structure information on a system containing a Co II ion and two nitroxides. Especially, the high sensitivity and ease of interpretation of RIDME at W-band opens avenues for new applications of Co II as orthogonal spin label.

Orientation selection in high-field RIDME and PELDOR experiments involving low-spin CoII ions

Orientation selection in high-field RIDME and PELDOR experiments involving low-spin Co^II ions