title: Low Molecular Weight Norbornadiene Derivatives for Molecular Solar-Thermal Energy Storage.
abstract: Molecular solar-thermal energy storage systems are based on molecular switches that reversibly convert solar energy into chemical energy. Herein, we report the synthesis, characterization, and computational evaluation of a series of low molecular weight (193-260 g mol(-1) ) norbornadiene-quadricyclane systems. The molecules feature cyano acceptor and ethynyl-substituted aromatic donor groups, leading to a good match with solar irradiation, quantitative photo-thermal conversion between the norbornadiene and quadricyclane, as well as high energy storage densities (396-629 kJ kg(-1) ). The spectroscopic properties and energy storage capability have been further evaluated through density functional theory calculations, which indicate that the ethynyl moiety plays a critical role in obtaining the high oscillator strengths seen for these molecules.
authors: Department of Chemistry and Chemical Engineering, Chalmers University of Technology, Kemigården 4, 412 96, Gothenburg, Sweden.
authors: Maria
authors: M
authors: Quant
authors: Department of Chemistry and Chemical Engineering, Chalmers University of Technology, Kemigården 4, 412 96, Gothenburg, Sweden.
authors: Anders
authors: A
authors: Lennartson
authors: Department of Chemistry and Chemical Engineering, Chalmers University of Technology, Kemigården 4, 412 96, Gothenburg, Sweden.
authors: Ambra
authors: A
authors: Dreos
authors: Department of Physics, Chalmers University of Technology, Sweden.
authors: Mikael
authors: M
authors: Kuisma
authors: Department of Physics, Chalmers University of Technology, Sweden.
authors: Paul
authors: http://orcid.org/0000-0002-2516-6061
authors: P
authors: Erhart
authors: Department of Chemistry and Chemical Engineering, Chalmers University of Technology, Kemigården 4, 412 96, Gothenburg, Sweden.|Department of Chemistry and Molecular Biology, University of Gothenburg, Sweden.
authors: Karl
authors: http://orcid.org/0000-0001-8533-201X
authors: K
authors: Börjesson
authors: Department of Chemistry and Chemical Engineering, Chalmers University of Technology, Kemigården 4, 412 96, Gothenburg, Sweden. kasper.moth-poulsen@chalmers.se.
authors: Kasper
authors: http://orcid.org/0000-0003-4018-4927
authors: K
authors: Moth-Poulsen
keywords: donor-acceptor systems; energy conversion; molecular switches; norbornadiene; quadricyclane