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Journal articles
A Theoretical Study of the N to O Linkage Photoisomerization Efficiency in a Series of Ruthenium Mononitrosyl Complexes
Abstract : 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.
Cited literature [87 references]
https://hal.archives-ouvertes.fr/hal-01666592
Contributor : Nicolas Elefantis <>
Submitted on : Wednesday, December 19, 2018 - 10:44:48 AM
Last modification on : Wednesday, October 14, 2020 - 4:09:46 AM
Contributor : Nicolas Elefantis <>
Submitted on : Wednesday, December 19, 2018 - 10:44:48 AM
Last modification on : Wednesday, October 14, 2020 - 4:09:46 AM
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