Author(s)

Fangyi Chen ¹, Mingjie Li ¹, Xiunan Xu ¹

Affiliation(s)

¹ Chongqing College of Electronic Engineering, No.76 University Town East Road, Shapingba District, Chongqing, 401331, China

Corresponding Author

Fangyi Chen

ABSTRACT

This study focused on a series of carbazole-pyridine derivatives with symmetric D-A-D structures, where pyridine rings serve as the center and carbazoles are distributed on both sides of the pyridine rings, to investigate atomic-level insights into how atomic charge and distance affect ICT. This study demonstrates that substitution position regulates ICT properties by influencing molecular conformation and electron transfer efficiency, laying a theoretical foundation for the development of high-performance D-A type organic small molecules.

KEYWORDS

Intramolecular Charge Transfer (ICT); Substitution Position; Photoluminescent Properties; Density Functional Theory (DFT)

CITE THIS PAPER

Fangyi Chen, Mingjie Li, Xiunan Xu, The Effect of Substitution Position on Intramolecular Charge-Transfer in Carbazole-Pyridine Derivatives. Modern Physical Chemistry Research (2025) Vol. 5: 69-77. DOI: http://dx.doi.org/10.23977/mpcr.2025.050109.

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