Tuning Electrocatalytic Energy Release in Norbornadiene Based Molecular Solar Thermal Systems Through Substituent Effects.

ABSTRACT: Molecular solar thermal (MOST) systems, such as the norbornadiene/quadricyclane (NBD/QC) pair, combine solar energy conversion, storage, and release in a simple one-molecule process. The energy-releasing reaction QC to NBD can be controlled electrochemically. In this study, we used in-situ photoelectrochemical infrared spectroscopy (PEC-IRRAS) together with density functional theory (DFT) calculations to investigate how electron donating (EDG) and electron withdrawing (EWG) groups in the push-pull system of the MOST pair affect the electrocatalytic properties of the electrochemically triggered back-conversion. Specifically, we investigated cyano, tosyl, and methyl ester groups as EWGs, and methoxy, dimethylamine, thioether, and diphenylamine groups located in the para-position of a phenyl

SUBMITTER: Franz E 

PROVIDER: S-EPMC12405824 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature