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A Theoretical Study of the N to O Linkage Photoisomerization Efficiency in a Series of Ruthenium Mononitrosyl Complexes
Ruthenium nitrosyl complexes are fascinating versatile photoactive molecules that can either undergo NO linkage photoisomerization or NO photorelease. The photochromic response of three ruthenium mononitrosyl complexes, trans-[RuCl(NO)(py)(4)](2+), trans-[RuBr(NO)(py)(4)](2+), and trans-(Cl,Cl)[RuCl...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6151532/ https://www.ncbi.nlm.nih.gov/pubmed/28984831 http://dx.doi.org/10.3390/molecules22101667 |
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author | Sanz García, Juan Talotta, Francesco Alary, Fabienne Dixon, Isabelle M. Heully, Jean-Louis Boggio-Pasqua, Martial |
author_facet | Sanz García, Juan Talotta, Francesco Alary, Fabienne Dixon, Isabelle M. Heully, Jean-Louis Boggio-Pasqua, Martial |
author_sort | Sanz García, Juan |
collection | PubMed |
description | Ruthenium nitrosyl complexes are fascinating versatile photoactive molecules that can either undergo NO linkage photoisomerization or NO photorelease. The photochromic response of three ruthenium mononitrosyl complexes, trans-[RuCl(NO)(py)(4)](2+), trans-[RuBr(NO)(py)(4)](2+), and trans-(Cl,Cl)[RuCl(2)(NO)(tpy)](+), has been investigated using density functional theory and time-dependent density functional theory. The N to O photoisomerization pathways and absorption properties of the various stable and metastable species have been computed, providing a simple rationalization of the photoconversion trend in this series of complexes. The dramatic decrease of the N to O photoisomerization efficiency going from the first to the last complex is mainly attributed to an increase of the photoproduct absorption at the irradiation wavelength, rather than a change in the photoisomerization pathways. |
format | Online Article Text |
id | pubmed-6151532 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-61515322018-11-13 A Theoretical Study of the N to O Linkage Photoisomerization Efficiency in a Series of Ruthenium Mononitrosyl Complexes Sanz García, Juan Talotta, Francesco Alary, Fabienne Dixon, Isabelle M. Heully, Jean-Louis Boggio-Pasqua, Martial Molecules Article Ruthenium nitrosyl complexes are fascinating versatile photoactive molecules that can either undergo NO linkage photoisomerization or NO photorelease. The photochromic response of three ruthenium mononitrosyl complexes, trans-[RuCl(NO)(py)(4)](2+), trans-[RuBr(NO)(py)(4)](2+), and trans-(Cl,Cl)[RuCl(2)(NO)(tpy)](+), has been investigated using density functional theory and time-dependent density functional theory. The N to O photoisomerization pathways and absorption properties of the various stable and metastable species have been computed, providing a simple rationalization of the photoconversion trend in this series of complexes. The dramatic decrease of the N to O photoisomerization efficiency going from the first to the last complex is mainly attributed to an increase of the photoproduct absorption at the irradiation wavelength, rather than a change in the photoisomerization pathways. MDPI 2017-10-06 /pmc/articles/PMC6151532/ /pubmed/28984831 http://dx.doi.org/10.3390/molecules22101667 Text en © 2017 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Sanz García, Juan Talotta, Francesco Alary, Fabienne Dixon, Isabelle M. Heully, Jean-Louis Boggio-Pasqua, Martial A Theoretical Study of the N to O Linkage Photoisomerization Efficiency in a Series of Ruthenium Mononitrosyl Complexes |
title | A Theoretical Study of the N to O Linkage Photoisomerization Efficiency in a Series of Ruthenium Mononitrosyl Complexes |
title_full | A Theoretical Study of the N to O Linkage Photoisomerization Efficiency in a Series of Ruthenium Mononitrosyl Complexes |
title_fullStr | A Theoretical Study of the N to O Linkage Photoisomerization Efficiency in a Series of Ruthenium Mononitrosyl Complexes |
title_full_unstemmed | A Theoretical Study of the N to O Linkage Photoisomerization Efficiency in a Series of Ruthenium Mononitrosyl Complexes |
title_short | A Theoretical Study of the N to O Linkage Photoisomerization Efficiency in a Series of Ruthenium Mononitrosyl Complexes |
title_sort | theoretical study of the n to o linkage photoisomerization efficiency in a series of ruthenium mononitrosyl complexes |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6151532/ https://www.ncbi.nlm.nih.gov/pubmed/28984831 http://dx.doi.org/10.3390/molecules22101667 |
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