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- W1972551573 abstract "Abstract A study of the scope and limitations of varying the ligand framework around the dinuclear core of FvRu 2 in its function as a molecular solar thermal energy storage framework is presented. It includes DFT calculations probing the effect of substituents, other metals, and CO exchange for other ligands on Δ H storage . Experimentally, the system is shown to be robust in as much as it tolerates a number of variations, except for the identity of the metal and certain substitution patterns. Failures include 1,1′,3,3′‐tetra‐ tert ‐butyl ( 4 ), 1,2,2′,3′‐tetraphenyl ( 9 ), diiron ( 28 ), diosmium ( 24 ), mixed iron‐ruthenium ( 27 ), dimolybdenum ( 29 ), and ditungsten ( 30 ) derivatives. An extensive screen of potential catalysts for the thermal reversal identified AgNO 3 –SiO 2 as a good candidate, although catalyst decomposition remains a challenge." @default.
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- W1972551573 date "2014-10-03" @default.
- W1972551573 modified "2023-10-18" @default.
- W1972551573 title "Exploring the Potential of Fulvalene Dimetals as Platforms for Molecular Solar Thermal Energy Storage: Computations, Syntheses, Structures, Kinetics, and Catalysis" @default.
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