Strong second order nonlinear optical properties of azulene-based porphyrin derivatives

Autor:	Cui-Cui Yang, Li Li, Wei Quan Tian, Wei-Qi Li, Ling Yang
Rok vydání:	2022
Předmět:	Porphyrins General Physics and Astronomy Physical and Theoretical Chemistry Azulenes
Zdroj:	Physical Chemistry Chemical Physics. 24:13275-13285
ISSN:	1463-9084 1463-9076
DOI:	10.1039/d2cp00735e
Popis:	The high stability, feasible modification, and good π-conjugation of porphyrin derivatives render these porphyrin-based nanomaterials suitable as potential third order nonlinear optical (NLO) materials. Introducing an azulene in pristine porphyrins can significantly improve the second order NLO properties of the system, and this is studied in the present work using density functional theory based methods and the sum-over-states model. The relative orientation of azulene plays a determinant role in the enhancement of the static first hyperpolarizability (〈
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fe8e6c9983dbfae81e18723720a37cd6 https://doi.org/10.1039/d2cp00735e Zobrazit plný text záznamu