Unravelling the S → O Linkage Photoisomerization Mechanisms in cis- and trans-[Ru(bpy)2(DMSO)2]2+ Using Density Functional Theory

Adrien Göttle; Fabienne Alary; Isabelle Dixon; Jean-Louis Heully; Martial Boggio-Pasqua

doi:10.1021/ic500546q

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Unravelling the S → O Linkage Photoisomerization Mechanisms in cis- and trans-[Ru(bpy)2(DMSO)2]2+ Using Density Functional Theory

Adrien Göttle ¹ Fabienne Alary ¹ Isabelle Dixon ¹ Jean-Louis Heully ¹ Martial Boggio-Pasqua ¹

1 PTC - Photochimie théorique et computationnelle (LCPQ)

LCPQ - Laboratoire de Chimie et Physique Quantiques

Adrien J. Göttle ¹ AuthorId : 859309
Author

Fabienne Alary ¹ AuthorId : 47488
Author

Isabelle M. Dixon ¹ AuthorId : 858896

Author IdHAL : isabelle-m-dixon ResearcherId : http://www.researcherid.com/rid/M-8384-2016 ORCID : https://orcid.org/0000-0001-5551-6715

Jean-Louis Heully ¹ AuthorId : 744749
Author

Martial Boggio-Pasqua ¹ AuthorId : 858897

Author IdHAL : martial-boggio-pasqua ResearcherId : http://www.researcherid.com/rid/M-1110-2015 ORCID : https://orcid.org/0000-0001-6684-5223

1 PTC - Photochimie théorique et computationnelle (LCPQ) (Laboratoire de Chimie et Physique Quantiques - UMR5626 Université Paul Sabatier Bat. 3R1b4 118 route de Narbonne 31062 Toulouse Cedex 09 - France) StructId : 391541

LCPQ - Laboratoire de Chimie et Physique Quantiques (118 Route de Narbonne Bât. 3R1 b4 Toulouse 31062 Toulouse cedex 9 - France) StructId : 91850
- IRSAMC - Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (UPS - IRSAMC. - Bat. IIIr1-B4. - 118 route de Narbonne 31062 Toulouse cedex - France) StructId : 161123
  - INSA Toulouse - Institut National des Sciences Appliquées - Toulouse (135, avenue de Rangueil - 31077 Toulouse cedex 4 - France) StructId : 116255
    - INSA - Institut National des Sciences Appliquées (France) StructId : 301232
  - UPS - Université Toulouse III - Paul Sabatier (118 route de Narbonne - 31062 Toulouse - France) StructId : 217752
    - Université Fédérale Toulouse Midi-Pyrénées (41 Allée Jules Guesde, 31000 Toulouse - France) StructId : 443875
  - CNRS - Centre National de la Recherche Scientifique : FR2568 (France) StructId : 441569

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Journal articles

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https://hal.archives-ouvertes.fr/hal-01010285
Contributor : Nicolas Elefantis <>
Submitted on : Thursday, June 19, 2014 - 2:47:43 PM
Last modification on : Thursday, October 31, 2019 - 10:16:05 AM

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HAL Id : hal-01010285, version 1
DOI : 10.1021/ic500546q

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Adrien Göttle, Fabienne Alary, Isabelle Dixon, Jean-Louis Heully, Martial Boggio-Pasqua. Unravelling the S → O Linkage Photoisomerization Mechanisms in cis- and trans-[Ru(bpy)2(DMSO)2]2+ Using Density Functional Theory. Inorganic Chemistry, American Chemical Society, 2014, 53 (13), pp.6752-6760. ⟨10.1021/ic500546q⟩. ⟨hal-01010285⟩

Unravelling the S → O Linkage Photoisomerization Mechanisms in cis- and trans-[Ru(bpy)2(DMSO)2]2+ Using Density Functional Theory

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Unravelling the S → O Linkage Photoisomerization Mechanisms in cis- and trans-[Ru(bpy)2(DMSO)2]2+ Using Density Functional Theory

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