Issue 28, 2023

Linear π-conjugated units of the D∞h point group as superior ultraviolet birefringent units

Abstract

At present, birefringent materials face a limited selection of large structural anisotropic functional modules (FMs). In this paper, we present a series of linear units which belong to the D∞h point group represented by (BO2) proposed as novel birefringent active FMs. By analyzing the molecular orbital of the (BO2) unit, it is found that there are relatively fewer non-bonding orbitals in (BO2) than in (BO3)3− and the delocalized π bonds in (BO2) appear in shallow energy levels, which are easily excited. Through first-principles modeling and simulation, it is found that the delocalized π bonds in (BO2) can still show obvious transition processes, which produce a significant gain to the birefringence. Besides, a series of compounds containing linear anionic frameworks which also belong to the D∞h point group show excellent optical anisotropy in the same way. Therefore, the linear anionic basic units which belong to the D∞h point group have the great potential to become new birefringent FMs.

Graphical abstract: Linear π-conjugated units of the D∞h point group as superior ultraviolet birefringent units

Supplementary files

Article information

Article type
Communication
Submitted
09 Нау. 2023
Accepted
22 Мау. 2023
First published
26 Мау. 2023

Phys. Chem. Chem. Phys., 2023,25, 18646-18651

Linear π-conjugated units of the D∞h point group as superior ultraviolet birefringent units

R. Yang, A. Tudi, Y. Dang, K. Zhang and H. Shi, Phys. Chem. Chem. Phys., 2023, 25, 18646 DOI: 10.1039/D3CP01081C

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements