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Not All 3MC States Are the Same: The Role of 3MCcis States in the Photochemical N∧N Ligand Release from [Ru(bpy)2(N∧N)]2+ Complexes.
Inorg Chem. 2022 Dec 12;61(49):19907-19924. doi: 10.1021/acs.inorgchem.2c03146. Epub 2022 Nov 30.
Inorg Chem. 2022.
PMID: 36450138
Free PMC article.
Exploration of Uncharted 3PES Territory for [Ru(bpy)3]2+: A New 3MC Minimum Prone to Ligand Loss Photochemistry.
Soupart A, Alary F, Heully JL, Elliott PIP, Dixon IM.
Soupart A, et al.
Inorg Chem. 2018 Mar 19;57(6):3192-3196. doi: 10.1021/acs.inorgchem.7b03229. Epub 2018 Mar 6.
Inorg Chem. 2018.
PMID: 29509005
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Theoretical Study of the Full Photosolvolysis Mechanism of [Ru(bpy)3]2+: Providing a General Mechanistic Roadmap for the Photochemistry of [Ru(N^N)3]2+-Type Complexes toward Both Cis and Trans Photoproducts.
Soupart A, Alary F, Heully JL, Elliott PIP, Dixon IM.
Soupart A, et al.
Inorg Chem. 2020 Oct 19;59(20):14679-14695. doi: 10.1021/acs.inorgchem.0c01843. Epub 2020 Aug 18.
Inorg Chem. 2020.
PMID: 32809807
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Methodological CASPT2 study of the valence excited states of an iron-porphyrin complex.
Ben Amor N, Soupart A, Heitz MC.
Ben Amor N, et al. Among authors: soupart a.
J Mol Model. 2017 Feb;23(2):53. doi: 10.1007/s00894-017-3226-y. Epub 2017 Feb 4.
J Mol Model. 2017.
PMID: 28161781
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