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

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

2011-11-19

arxiv.org/abs/1111.4561v1

Physical Review B 82, 155118 (2010)

Physics

Condensed Matter

Materials Science

6 pages, 5 figures

Scientific paper

10.1103/PhysRevB.82.155118

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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