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arXiv · 1111.4561

Effects of the reaction cavity on metastable optical excitation in ruthenium-sulfur dioxide complexes

Anthony E. Phillips·Jacqueline M. Cole·Thierry d'Almeida·Kian Sing Low
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Abstract

We report photoexcited-state crystal structures for two new members of the [Ru(SO_2)(NH_3)_4X]Y family: 1:X=H2O, Y=(+/-)-camphorsulfonate_2; 2:X=isonicotinamide, Y=tosylate_2. The excited states are metastable at 100 K, with a photoconversion fraction of 11.1(7)% achieved in 1, and 22.1(10)% and 26.9(10)% at the two distinct sites in 2.We further show using solid-state density-functional-theory calculations that the excited-state geometries achieved are strongly influenced by the local crystal environment. This result is relevant to attempts to rationally design related photoexcitation systems for optical data-storage applications.

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Anthony E. Phillips, Jacqueline M. Cole, Thierry d'Almeida, Kian Sing Low. 2011-11-19. Effects of the reaction cavity on metastable optical excitation in ruthenium-sulfur dioxide complexes. https://doi.org/10.1103/physrevb.82.155118

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