Jump to main content
Jump to site search


Methyl substitution for noncentrosymmetric stacking: a promising organic single crystal for highly efficient terahertz-wave generation

Author affiliations

Abstract

Regulating secondary bonds in organic compounds is one of the important routes to design practical materials with excellent performances. However, controlling the molecular arrangement and spatial configuration by changing the limited substituent groups is still very challenging. Herein, two indolium-based (C19H20NO)+ crystals, centric OHI-CBS and acentric OHI-T, were synthesized and grown using an evaporation method. An intriguing structural change from the centrosymmetric (P21/c) to noncentrosymmetric (Cc) space group was obtained by a simple substitution of the chloro group by the methyl group. Theoretical calculations demonstrate that hydrogen bonds and π–π interactions make the main contribution to molecular spatial alignment. Meanwhile, the OHI-T crystal exhibits prominent nonlinearity of about 0.7 times that of the benchmark OH1 crystal, a large band gap (2.47 eV), a wide transparency range (504–2100 nm), and remarkably efficient output energy in the 0.1–20 THz region, making it a potential nonlinear optical medium for THz-wave generation. This work realizes rational crystal structural regulation through simple molecular substitution and provides a feasible design strategy for other organic optoelectronic functional materials.

Graphical abstract: Methyl substitution for noncentrosymmetric stacking: a promising organic single crystal for highly efficient terahertz-wave generation

Back to tab navigation

Supplementary files

Article information


Submitted
22 Jan 2020
Accepted
11 Feb 2020
First published
11 Feb 2020

J. Mater. Chem. C, 2020, Advance Article
Article type
Paper

Methyl substitution for noncentrosymmetric stacking: a promising organic single crystal for highly efficient terahertz-wave generation

J. Shi, Y. He, F. Liang, X. Zhang, D. Xu, J. Yao, G. Zhang, Z. Hu, J. Yao and Y. Wu, J. Mater. Chem. C, 2020, Advance Article , DOI: 10.1039/D0TC00408A

Social activity

Search articles by author

Spotlight

Advertisements