Influence of Internal Molecular Motions in the Photothermal Conversion Effect of Charge-Transfer Cocrystals
The result's identifiers
Result code in 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>
Result on the web
<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>
Alternative languages
Result language
angličtina
Original language name
Influence of Internal Molecular Motions in the Photothermal Conversion Effect of Charge-Transfer Cocrystals
Original language description
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.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - 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
Result continuities
Project
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Chemistry of Materials
ISSN
0897-4756
e-ISSN
1520-5002
Volume of the periodical
35
Issue of the periodical within the volume
23
Country of publishing house
US - UNITED STATES
Number of pages
9
Pages from-to
10009-10017
UT code for WoS article
001125136600001
EID of the result in the Scopus database
2-s2.0-85179109267