Electronic structure and reactivity studies of a nonsymmetric one-electron oxidized CuII bis-phenoxide complex
Abstract
Here, the tetradentate mixed imino/amino phenoxide ligand (N-(3,5-di-tert-butylsalicylidene)-N'-(2-hydroxyl-3,5-di-tert-butylbenzyl))-trans-1,2-cyclohexanediamine (salalen) was complexed with CuII, and the resulting Cu complex (2) was characterized by a number of experimental techniques and theoretical calculations. Two quasi-reversible redox processes for 2, as observed by cyclic voltammetry, demonstrated the potential stability of oxidized forms, and also the increased electron-donating ability of the salalen ligand in comparison to the salen analogue. The electronic structure of the one-electron oxidized [2]+ was studied in detail, and Cu K-edge X-ray Absorption Spectroscopy (XAS) measurements confirmed a CuII-phenoxyl radical complex in solution. Resonance Raman (rR) and variable temperature 1H NMR studies, coupled with theoretical calculations, showed that [2•]+ is a triplet (S = 1) CuII-phenoxyl radical species, with localization of the radical on the more electron-rich aminophenoxide. Attempted isolation of X-ray quality crystals of [2•]+ afforded [2H]+, with a protonated phenol bonded to CuII, and an additional H-bonding interaction with the SbF6– counterion. Stoichiometric reaction of dilute solutions of [2•]+ with benzyl alcohol showed that the complex reacts in a similar manner as the oxidized CuII-salen analogue, and does not exhibit a substrate-binding pre-equilibrium as observed for the oxidized bis-aminophenoxide CuII-salan derivative.
- Authors:
-
- Stanford Univ., Stanford, CA (United States); Univ. of the Fraser Valley, Abbotsford, BC (Canada)
- California State Univ., Chico, CA (United States)
- Ibaraki Univ., Mito (Japan)
- The Univ. of Minnesota, Minneapolis, MN (United States)
- Simon Fraser Univ., Burnaby, BC (Canada)
- Stanford Univ., Stanford, CA (United States)
- Publication Date:
- Research Org.:
- SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Biological and Environmental Research (BER)
- OSTI Identifier:
- 1469090
- Alternate Identifier(s):
- OSTI ID: 1702083
- Grant/Contract Number:
- AC02-76SF00515
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Inorganica Chimica Acta
- Additional Journal Information:
- Journal Volume: 481; Journal Issue: C; Journal ID: ISSN 0020-1693
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Chiang, Linus, Wasinger, Erik C., Shimazaki, Yuichi, Young, Jr., Victor, Storr, Tim, and Stack, T. Daniel P. Electronic structure and reactivity studies of a nonsymmetric one-electron oxidized CuII bis-phenoxide complex. United States: N. p., 2017.
Web. doi:10.1016/j.ica.2017.09.042.
Chiang, Linus, Wasinger, Erik C., Shimazaki, Yuichi, Young, Jr., Victor, Storr, Tim, & Stack, T. Daniel P. Electronic structure and reactivity studies of a nonsymmetric one-electron oxidized CuII bis-phenoxide complex. United States. https://doi.org/10.1016/j.ica.2017.09.042
Chiang, Linus, Wasinger, Erik C., Shimazaki, Yuichi, Young, Jr., Victor, Storr, Tim, and Stack, T. Daniel P. Mon .
"Electronic structure and reactivity studies of a nonsymmetric one-electron oxidized CuII bis-phenoxide complex". United States. https://doi.org/10.1016/j.ica.2017.09.042. https://www.osti.gov/servlets/purl/1469090.
@article{osti_1469090,
title = {Electronic structure and reactivity studies of a nonsymmetric one-electron oxidized CuII bis-phenoxide complex},
author = {Chiang, Linus and Wasinger, Erik C. and Shimazaki, Yuichi and Young, Jr., Victor and Storr, Tim and Stack, T. Daniel P.},
abstractNote = {Here, the tetradentate mixed imino/amino phenoxide ligand (N-(3,5-di-tert-butylsalicylidene)-N'-(2-hydroxyl-3,5-di-tert-butylbenzyl))-trans-1,2-cyclohexanediamine (salalen) was complexed with CuII, and the resulting Cu complex (2) was characterized by a number of experimental techniques and theoretical calculations. Two quasi-reversible redox processes for 2, as observed by cyclic voltammetry, demonstrated the potential stability of oxidized forms, and also the increased electron-donating ability of the salalen ligand in comparison to the salen analogue. The electronic structure of the one-electron oxidized [2]+ was studied in detail, and Cu K-edge X-ray Absorption Spectroscopy (XAS) measurements confirmed a CuII-phenoxyl radical complex in solution. Resonance Raman (rR) and variable temperature 1H NMR studies, coupled with theoretical calculations, showed that [2•]+ is a triplet (S = 1) CuII-phenoxyl radical species, with localization of the radical on the more electron-rich aminophenoxide. Attempted isolation of X-ray quality crystals of [2•]+ afforded [2H]+, with a protonated phenol bonded to CuII, and an additional H-bonding interaction with the SbF6– counterion. Stoichiometric reaction of dilute solutions of [2•]+ with benzyl alcohol showed that the complex reacts in a similar manner as the oxidized CuII-salen analogue, and does not exhibit a substrate-binding pre-equilibrium as observed for the oxidized bis-aminophenoxide CuII-salan derivative.},
doi = {10.1016/j.ica.2017.09.042},
journal = {Inorganica Chimica Acta},
number = C,
volume = 481,
place = {United States},
year = {Mon Sep 18 00:00:00 EDT 2017},
month = {Mon Sep 18 00:00:00 EDT 2017}
}
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Figures / Tables:
Fig. 1: Chemical structures of Cu salen (1) Cu salalen (2), and Cu salan (3) of relevance to this work
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text, January 2020
- Paul, Melanie; Teubner, Melissa; Grimm‐Lebsanft, Benjamin
- Deutsches Elektronen-Synchrotron, DESY, Hamburg
Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.