A naphthalene-phenanthro[9,10-d]imidazole-based π-conjugated molecule with a self-assembly-induced tuneable multiple fluorescence output exhibits artificial light-harvesting properties

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F24%3A00599276" target="_blank" >RIV/61388963:_____/24:00599276 - isvavai.cz</a>

Result on the web

<a href="https://doi.org/10.1039/D4MA00806E" target="_blank" >https://doi.org/10.1039/D4MA00806E</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d4ma00806e" target="_blank" >10.1039/d4ma00806e</a>

Result language

angličtina

Original language name

A naphthalene-phenanthro[9,10-d]imidazole-based π-conjugated molecule with a self-assembly-induced tuneable multiple fluorescence output exhibits artificial light-harvesting properties

Original language description

Among promising new materials, pi-conjugated organic molecules are considered an attractive platform for the design and development of a wide range of self-assembled superstructures with desirable optical and electrical properties necessary for use in organic optoelectronics applications. The optical and electrical properties of pi-conjugated organic molecules and their possible applications are usually determined by their primary molecular structure and their intermolecular interactions in the self-assembled state. However, satisfying the structural requirements for achieving tuneable optical properties is a difficult task, which makes the design and development of novel high-performance pi-conjugated organic systems for nano-optoelectronics a considerable challenge. In this paper, we report on the design and synthesis of a naphthalene-phenanthro[9,10-d] imidazole-based pi-conjugated Schiff base molecule (L1) that exhibits aggregation-induced tunable luminescence properties facilitated by solvent polarity. Upon varying the medium polarity of the self-assembly medium, L1 self-assembles into various superstructures with distinct morphologies and generates multiple tunable emission colours (blue-green-yellow-white). In a highly polar THF : water = 1 : 9 medium, it displays aggregation-induced white light emission. These single component-based white-light emitters attract broad attention due to their potential applications in lighting devices and display media. Computational studies incorporating full geometry optimization, time-dependent density functional theory (TDDFT) calculations and molecular dynamics (MD) simulations were utilized to elucidate the enhanced pi-pi interaction influenced by increasing solvent polarity and orbitals involved in electronic transitions associated with different self-assembled states. More importantly, we constructed a highly efficient artificial light-harvesting system in a THF : water = 1 : 1 medium based on self-assembled L1 and rhodamine B (RhB), where L1 acts as an energy donor and RhB acts as an acceptor, exhibiting a strong antenna effect at a substantial donor/acceptor ratio. Our findings provide a novel versatile approach for developing efficient artificial light-harvesting systems based on the supramolecular self-assembly of suitably designed pi-conjugated organic molecules with tuneable multiple emission properties.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10403 - Physical chemistry

Project

—

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2024

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Materials Advances

ISSN

2633-5409

e-ISSN

2633-5409

Volume of the periodical

5

Issue of the periodical within the volume

20

Country of publishing house

GB - UNITED KINGDOM

Number of pages

15

Pages from-to

8208-8222

UT code for WoS article

001321377300001

EID of the result in the Scopus database

2-s2.0-85205443071