Exploring the Potential of Fulvalene dimetals as Platforms for Molecular Solar Thermal Energy Storage: Computations, Syntheses, Structures, Kinetics, and Catalysis
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- Title
- Exploring the Potential of Fulvalene dimetals as Platforms for Molecular Solar Thermal Energy Storage: Computations, Syntheses, Structures, Kinetics, and Catalysis
- Authors
- Börjesson, Karl; Ćoso, Dušan; Gray, Victor; Grossman, Jeffrey C.; Guan, Jingqi; Harris, Charles B.; Hertkorn, Norbert; Hou, Zongrui; Kanai, Yosuke; LEE, DONGHWA; Lomont, Justin P.; Majumdar, Arun; Meier, Steven K.; Moth-Poulsen Kasper; Myrabo, Randy L.; Nguyen, Son C.; Segalman, Rachel A.; Srinivasan, Varadharajan; Tolman, Willam B.; Vinokurov, Nikolai; Vollhardt, K. Peter C.; Weidman, Timothy W.
- Date Issued
- 2014-11-17
- Publisher
- WILEY-V C H VERLAG GMBH
- 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 Delta 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 di-tungsten (30) derivatives. An extensive screen of potential catalysts for the thermal reversal identified AgNO3-SiO2 as a good candidate, although catalyst decomposition remains a challenge.
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/96334
- DOI
- 10.1002/chem.201404170
- ISSN
- 0947-6539
- Article Type
- Article
- Citation
- CHEMISTRY-A EUROPEAN JOURNAL, vol. 20, no. 47, page. 15587 - 15604, 2014-11-17
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