Physical Mechanism of Nonlinear Spectra in Triangene

Author:

Zhang Na1,Feng Weijian1,Wen Hanbo1,Feng Naixing2345ORCID,Sheng Hao1,Huang Zhixiang2345ORCID,Wang Jingang1ORCID

Affiliation:

1. Liaoning Provincial Key Laboratory of Novel Micro-Nano Functional Materials, College of Science, Liaoning Petrochemical University, Fushun 113001, China

2. The Key Laboratory of Intelligent Computing and Signal Processing, Ministry of Education, Anhui University, Hefei 230601, China

3. Anhui Province Key Laboratory of Target Recognition and Feature Extraction, Lu’an 230601, China

4. The Information Materials and Intelligent Sensing Laboratory of Anhui Province, Anhui University, Hefei 230601, China

5. The Key Laboratory of Electromagnetic Environmental Sensing of Anhui Higher Education Institutes, Anhui University, Hefei 230601, China

Abstract

In this work, we theoretically investigate the linear and nonlinear optical absorption properties of open triangulene spin chains and cyclic triangulene spin chains in relation to their lengths and shapes. The physical mechanism of local excitation within the triangular alkene unit and the weak charge transfer between the units are discussed. The uniformly distributed electrostatic potential allows the system to have a small permanent dipole moment that blocks the electronic transition in the light excitation such that the electronic transition can only be carried out between adjacent carbon atoms. The one-photon absorption (OPA) spectra and two-photon absorption (TPA) spectra are red-shifted with the addition of triangulene units compared to N = 3TSCs (triangulene spin chains, TSCs). Here, TPA is mainly caused by the first step of the transition. The length of the spin chain has a significant adjustment effect on the photon cross-section. TSCs of different lengths and shapes can control chirality by adjusting the distribution of the electric dipole moment and transition magnetic dipole moment. These analyses reveal the photophysical properties of triangulene and provide a theoretical basis for studying the photophysical properties of triangulene and its derivatives.

Funder

Natural Science Foundation of Liaoning Province

Basic Scientific Research Project of Education Department of Liaoning Province

Publisher

MDPI AG

Subject

Chemistry (miscellaneous),Analytical Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Molecular Medicine,Drug Discovery,Pharmaceutical Science

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