![Author ORCID: We display the ORCID iD icon alongside authors names on our website to acknowledge that the ORCiD has been authenticated when entered by the user. To view the users ORCiD record click the icon. [opens in a new tab]](https://chemrxiv.org/engage/assets/public/chemrxiv/images/logos/orcid.png)
Abstract
Herein, we report the computational investigation of s-indacene as a viable candidate for the construction of organic electronic devices.
We also investigate the effect of molecular topology on the frontier energy levels of the s-indacene fragments and the possibility of
tuning the frontier energy levels by a rational choice of substituents and bridging groups. The rationale behind the choice of s-indacene
fragments as the basis for the construction of 2D organic electronic devices with tailor-made properties can be extended towards the construction
of other 2D covalent organic frameworks with applications in organic electronics and spintronics.
We also investigate the effect of molecular topology on the frontier energy levels of the s-indacene fragments and the possibility of
tuning the frontier energy levels by a rational choice of substituents and bridging groups. The rationale behind the choice of s-indacene
fragments as the basis for the construction of 2D organic electronic devices with tailor-made properties can be extended towards the construction
of other 2D covalent organic frameworks with applications in organic electronics and spintronics.
Supplementary materials
Title
SI ArXiv
Description
Actions
