Tuning the optical properties of BODIPY dyes by N-rich heterocycle conjugation using a combined synthesis and computational approach

Autor:	Haitao Sun, Srinivas Banala, Fufang Wang, Jean Michel Merkes, Fabian Kiessling, Tobias Ostlender
Rok vydání:	2021
Předmět:	Chemistry Triazole Quantum yield General Chemistry Photochemistry Fluorescence Catalysis Blueshift chemistry.chemical_compound Materials Chemistry BODIPY Absorption (electromagnetic radiation) HOMO/LUMO Pyrrole
Zdroj:	New Journal of Chemistry. 45:19641-19645
ISSN:	1369-9261 1144-0546
Popis:	The increased number of N-atoms induced a blueshift in absorption and a gain in fluorescence quantum yield, from 750 nm and ∼0% for pyrrole to 635 nm and ∼40% for triazole, respectively. DFT calculations indicated a decrease in HOMO energy levels with the increased number of N-atoms without affecting the LUMO levels, thereby causing the observed blueshift.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::98c38c78b920e561f0d51b413ba36dd9 https://doi.org/10.1039/d1nj01847g Zobrazit plný text záznamu