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Pivotal Role of a Pentacoordinate (3)MC State on the Photocleavage Efficiency of a Thioether Ligand in Ruthenium(II) Complexes: A Theoretical Mechanistic Study.
Inorg Chem. 2016 May 2;55(9):4448-56. doi: 10.1021/acs.inorgchem.6b00268. Epub 2016 Apr 7.
Inorg Chem. 2016.
PMID: 27054312
Unravelling the S → O linkage photoisomerization mechanisms in cis- and trans-[Ru(bpy)2(DMSO)2](2+) using density functional theory.
Göttle AJ, Alary F, Dixon IM, Heully JL, Boggio-Pasqua M.
Göttle AJ, et al.
Inorg Chem. 2014 Jul 7;53(13):6752-60. doi: 10.1021/ic500546q. Epub 2014 Jun 16.
Inorg Chem. 2014.
PMID: 24932513
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Adiabatic versus nonadiabatic photoisomerization in photochromic ruthenium sulfoxide complexes: a mechanistic picture from density functional theory calculations.
Göttle AJ, Dixon IM, Alary F, Heully JL, Boggio-Pasqua M.
Göttle AJ, et al.
J Am Chem Soc. 2011 Jun 22;133(24):9172-4. doi: 10.1021/ja201625b. Epub 2011 May 27.
J Am Chem Soc. 2011.
PMID: 21604806
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Preparation, stability, and photoreactivity of thiolato ruthenium polypyridyl complexes: Can cysteine derivatives protect ruthenium-based anticancer complexes?
van Rixel VH, Busemann A, Göttle AJ, Bonnet S.
van Rixel VH, et al. Among authors: gottle aj.
J Inorg Biochem. 2015 Sep;150:174-81. doi: 10.1016/j.jinorgbio.2015.05.010. Epub 2015 Jul 10.
J Inorg Biochem. 2015.
PMID: 26187140
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Determinant Role of Electrogenerated Reactive Nucleophilic Species on Selectivity during Reduction of CO2 Catalyzed by Metalloporphyrins.
Göttle AJ, Koper MTM.
Göttle AJ, et al.
J Am Chem Soc. 2018 Apr 11;140(14):4826-4834. doi: 10.1021/jacs.7b11267. Epub 2018 Mar 28.
J Am Chem Soc. 2018.
PMID: 29551059
Free PMC article.
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Proton-coupled electron transfer in the electrocatalysis of CO2 reduction: prediction of sequential vs. concerted pathways using DFT.
Göttle AJ, Koper MTM.
Göttle AJ, et al.
Chem Sci. 2017 Jan 1;8(1):458-465. doi: 10.1039/c6sc02984a. Epub 2016 Aug 22.
Chem Sci. 2017.
PMID: 28451193
Free PMC article.
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