Unexpected XPS binding energy observations further highlighted by DFT calculations of ruthenocene-containing [IrIII(ppy)2(RCOCHCORc)] complexes : cytotoxicity and crystal structure of [Ir(ppy)2(FcCOCHCORc)]

Buitendach, Blenerhassitt E.; Erasmus, Elizabeth; Fourie, Eleanor; Malan, F.P. (Frederick); Conradie, Jeanet; Niemantsverdriet, J.W. (Hans); Swarts, Jannie C.

We are excited to announce that the repository will soon undergo an upgrade, featuring a new look and feel along with several enhanced features to improve your experience. Please be on the lookout for further updates and announcements regarding the launch date. We appreciate your support and look forward to unveiling the improved platform soon.

Unexpected XPS binding energy observations further highlighted by DFT calculations of ruthenocene-containing [IrIII(ppy)2(RCOCHCORc)] complexes : cytotoxicity and crystal structure of [Ir(ppy)2(FcCOCHCORc)]

Buitendach, Blenerhassitt E.; Erasmus, Elizabeth; Fourie, Eleanor; Malan, F.P. (Frederick); Conradie, Jeanet; Niemantsverdriet, J.W. (Hans); Swarts, Jannie C.

URI: http://hdl.handle.net/2263/101119

Date: 2024-11-15

Abstract:

Please read abstract in the article.

Description:

SUPPLEMENTARY MATERIALS : Detailed XPS spectra of the Fe 2p region of FcCOCH2CORc, the N 1s region of 1–6, and Ru 3d regions of 1–6. Figures highlighting XPS and DFT relationships of 1–6. Tables providing crystallographic information and optimised coordinates from DFT calculations of free β-diketones and 1–6.

DATA AVAILABILITY STATEMENT : CCDC 2307998 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge via www.ccdc.cam.ac.uk/data_request/cif, by emailing data_request@ccdc.cam.ac.uk, or by contacting The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, CB2 1EZ, UK, Fax: +44-1223-336033.

Show full item record