Unveiling the effects of conjugated gradient bridges: Inducing intramolecular charge transfer significantly enhances nonlinear response

IF 4.3 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-02-23 DOI:10.1016/j.saa.2025.125947

Songhua Chen , Xiangzhao Zhu , Yaqi Lu , Hongdan Hu , Kai Xue , Yinglin Song , Jiabei Xu , Jianhua Huang , Yaofeng Yuan

{"title":"Unveiling the effects of conjugated gradient bridges: Inducing intramolecular charge transfer significantly enhances nonlinear response","authors":"Songhua Chen , Xiangzhao Zhu , Yaqi Lu , Hongdan Hu , Kai Xue , Yinglin Song , Jiabei Xu , Jianhua Huang , Yaofeng Yuan","doi":"10.1016/j.saa.2025.125947","DOIUrl":null,"url":null,"abstract":"<div><div>As an important π-conjugated bridge, (E)-2-styrylthiophene possesses excellent electronic transport and optical properties, showing great potential in nonlinear optical (NLO) applications. In order to investigate the influence of different donor units on (E)-2-styrylthiophene in NLO, we synthesized three thiophene-based D-π-A conjugates with dicyanoacetylene as the acceptor and different donors (MS, PS, FS) by inducing intramolecular charge transfer (ICT). Their third-order nonlinear absorption was studied using Z-scan experiments and transient absorption spectroscopy. Due to the significant ICT, MS exhibited the highest nonlinear absorption coefficient (β = 1.5 × 10−9 m W−1) and effective third order refractive index (n2 = -12 × 10−17 m2 W−1). Taking the strongest performing MS molecule as an example, we analyzed four types of conjugated bridges through theoretical calculations, which indicated that (E)-2-styrylthiophene has the strongest dipole moment difference (Δμ = 34.73 D). Finally, transient absorption (TA) spectroscopy revealed that the nonlinear absorption of these molecules is primarily caused by reverse saturable absorption (RSA).</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"334 ","pages":"Article 125947"},"PeriodicalIF":4.3000,"publicationDate":"2025-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1386142525002537","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"SPECTROSCOPY","Score":null,"Total":0}

引用次数: 0

Abstract

As an important π-conjugated bridge, (E)-2-styrylthiophene possesses excellent electronic transport and optical properties, showing great potential in nonlinear optical (NLO) applications. In order to investigate the influence of different donor units on (E)-2-styrylthiophene in NLO, we synthesized three thiophene-based D-π-A conjugates with dicyanoacetylene as the acceptor and different donors (MS, PS, FS) by inducing intramolecular charge transfer (ICT). Their third-order nonlinear absorption was studied using Z-scan experiments and transient absorption spectroscopy. Due to the significant ICT, MS exhibited the highest nonlinear absorption coefficient (β = 1.5 × 10⁻⁹ m W⁻¹) and effective third order refractive index (n₂ = -12 × 10⁻¹⁷ m² W⁻¹). Taking the strongest performing MS molecule as an example, we analyzed four types of conjugated bridges through theoretical calculations, which indicated that (E)-2-styrylthiophene has the strongest dipole moment difference (Δμ = 34.73 D). Finally, transient absorption (TA) spectroscopy revealed that the nonlinear absorption of these molecules is primarily caused by reverse saturable absorption (RSA).

Abstract Image

查看原文本刊更多论文

求助全文

约1分钟内获得全文求助全文

来源期刊

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 物理-光谱学

CiteScore

8.40

自引率

11.40%

发文量

1364

审稿时长

40 days

期刊介绍： Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is an interdisciplinary journal which spans from basic to applied aspects of optical spectroscopy in chemistry, medicine, biology, and materials science. The journal publishes original scientific papers that feature high-quality spectroscopic data and analysis. From the broad range of optical spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on magnetic moments. Criteria for publication in SAA are novelty, uniqueness, and outstanding quality. Routine applications of spectroscopic techniques and computational methods are not appropriate. Topics of particular interest of Spectrochimica Acta Part A include, but are not limited to: Spectroscopy and dynamics of bioanalytical, biomedical, environmental, and atmospheric sciences, Novel experimental techniques or instrumentation for molecular spectroscopy, Novel theoretical and computational methods, Novel applications in photochemistry and photobiology, Novel interpretational approaches as well as advances in data analysis based on electronic or vibrational spectroscopy.