Influence of Internal Molecular Motions in the Photothermal Conversion Effect of Charge-Transfer Cocrystals

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F23%3A00579580" target="_blank" >RIV/61388963:_____/23:00579580 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1021/acs.chemmater.3c01944" target="_blank" >https://doi.org/10.1021/acs.chemmater.3c01944</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.chemmater.3c01944" target="_blank" >10.1021/acs.chemmater.3c01944</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Influence of Internal Molecular Motions in the Photothermal Conversion Effect of Charge-Transfer Cocrystals

Popis výsledku v původním jazyce

Herein, we report two new charge-transfer organic cocrystals, CP-TCNQ and CP-TFBQ. The two cocrystals exhibit broad absorption, good thermal stability, and low photoluminescence quantum yields, the necessary requirements to show the photothermal conversion (PTC) effect. Indeed, the two cocrystals exhibit distinct PTC efficiencies of 11.0 ± 1.4% (CP-TCNQ) and 17.0 ± 1.0% (CP-TFBQ). The 55% improvement in the observed efficiencies is attributed to the fast in-plane reorientations of the TFBQ fragment, as determined by detailed ssNMR spectroscopy and DFT calculations. This work provides for the first time experimental and computational evidence that the molecular motion of a cocrystal coformer increases its PTC efficiency, paving the way to the design of new crystalline materials with PTC as a regulated property.

Název v anglickém jazyce

Influence of Internal Molecular Motions in the Photothermal Conversion Effect of Charge-Transfer Cocrystals

Popis výsledku anglicky

Herein, we report two new charge-transfer organic cocrystals, CP-TCNQ and CP-TFBQ. The two cocrystals exhibit broad absorption, good thermal stability, and low photoluminescence quantum yields, the necessary requirements to show the photothermal conversion (PTC) effect. Indeed, the two cocrystals exhibit distinct PTC efficiencies of 11.0 ± 1.4% (CP-TCNQ) and 17.0 ± 1.0% (CP-TFBQ). The 55% improvement in the observed efficiencies is attributed to the fast in-plane reorientations of the TFBQ fragment, as determined by detailed ssNMR spectroscopy and DFT calculations. This work provides for the first time experimental and computational evidence that the molecular motion of a cocrystal coformer increases its PTC efficiency, paving the way to the design of new crystalline materials with PTC as a regulated property.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2023

Kód důvěrnosti údajů

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

Název periodika

Chemistry of Materials

ISSN

0897-4756

e-ISSN

1520-5002

Svazek periodika

35

Číslo periodika v rámci svazku

23

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

9

Strana od-do

10009-10017

Kód UT WoS článku

001125136600001

EID výsledku v databázi Scopus

2-s2.0-85179109267