Solvent-Mediated Control of Twisted Intramolecular Charge Transfer in 7-(Diethylamino)coumarin-3-carboxylic Acid.

Xilin Bai, Jing Xiao, Bingqi Du, Duidui Liu, Yanzhuo Wang, Shujing Shi, Jing Ge

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Article in Molecules (Basel, Switzerland), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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7 authors.

Xilin BaiSchool of Physics and Electronic Engineering, Shanxi Normal University, No. 339, Taiyu Road, Taiyuan 030031, China.ORCID 0009-0008-2254-6772

Jing XiaoSchool of Physics and Electronic Engineering, Shanxi Normal University, No. 339, Taiyu Road, Taiyuan 030031, China.

Bingqi DuSchool of Physics and Electronic Engineering, Shanxi Normal University, No. 339, Taiyu Road, Taiyuan 030031, China.

Duidui LiuSchool of Physics and Electronic Engineering, Shanxi Normal University, No. 339, Taiyu Road, Taiyuan 030031, China.

Yanzhuo WangSchool of Physics and Electronic Engineering, Shanxi Normal University, No. 339, Taiyu Road, Taiyuan 030031, China.

Shujing ShiSchool of Physics and Electronic Engineering, Shanxi Normal University, No. 339, Taiyu Road, Taiyuan 030031, China.

Jing GeSchool of Physics and Electronic Engineering, Shanxi Normal University, No. 339, Taiyu Road, Taiyuan 030031, China.

Funding

National Natural Science Foundation of China 21903050

6 · The paper itself

Abstract

Understanding the influence of solvent environments on the excited-state charge transfer process remains a fundamental question in molecular photophysics and photochemistry. While twisted intramolecular charge transfer (TICT) is crucial in determining fluorescence efficiency and photostability, the combined effects of solvent polarity and hydrogen bonding interactions are still elusive. Here, we employ steady-state and femtosecond transient absorption (fs-TA) spectroscopy with density functional theory (DFT) calculations to investigate the excited-state dynamics of 7-(diethylamino)coumarin-3-carboxylic acid (7-DCCA) in different solvents. Our findings reveal that in highly polar solvents with strong hydrogen-donating and hydrogen-accepting capabilities, 7-DCCA undergoes significant TICT formation, resulting in fluorescence quenching. Conversely, in environments with low polarity or weak hydrogen-bonding interactions, this transformation is largely suppressed. Quantitative correlation analysis utilizing the Kamlet-Taft and Catalán four-parameter models further elucidates the synergistic role of solvent polarity and specific hydrogen-bonding parameters in modulating the steady-state spectral behavior of 7-DCCA. This study provides microscopic insights into solvent-charge transfer interactions and establishes a general framework for enhancing the luminescence efficiency and structural robustness of organic optoelectronic materials through strategic solvent engineering.

Indexed as

7-(diethylamino)coumarin-3-carboxylic acidfemtosecond transient absorptionhydrogen bondingsolvent polaritytwisted intramolecular charge transfer

Identifiers

PMID41515373

DOI10.3390/molecules31010076

PMCPMC12787091

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