Intramolecular Steric Congestion Tailored Excited-State Dynamics of C═C Photorotation for Effective Photothermal Tuning.

Tong Zheng, Youquan Yan, Yunhe Zhang, Shunwei Chen, Mingzhi Wei, Conghui Si, Zifei Wang, Xujun Zheng, Xiujun Han

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Article in Chemistry (Weinheim an der Bergstrasse, Germany), 2026. 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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9 authors.

Tong ZhengShandong Key Laboratory of Advanced Glass Manufacturing and Technology, School of Materials Science and Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan, China.

Youquan YanShandong Key Laboratory of Advanced Glass Manufacturing and Technology, School of Materials Science and Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan, China.

Yunhe ZhangShandong Key Laboratory of Advanced Glass Manufacturing and Technology, School of Materials Science and Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan, China.

Shunwei ChenShandong Key Laboratory of Advanced Glass Manufacturing and Technology, School of Materials Science and Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan, China.ORCID https://orcid.org/0000-0002-2536-5589

Mingzhi WeiShandong Key Laboratory of Advanced Glass Manufacturing and Technology, School of Materials Science and Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan, China.

Conghui SiShandong Key Laboratory of Advanced Glass Manufacturing and Technology, School of Materials Science and Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan, China.

Zifei WangShandong Key Laboratory of Advanced Glass Manufacturing and Technology, School of Materials Science and Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan, China.ORCID https://orcid.org/0009-0009-2972-2043

Xujun ZhengDepartment of Materials Science and Engineering, University of Virginia, Charlottesville, Virginia, USA.ORCID https://orcid.org/0000-0002-8478-7589

Xiujun HanShandong Key Laboratory of Advanced Glass Manufacturing and Technology, School of Materials Science and Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan, China.ORCID https://orcid.org/0000-0003-3353-4183

Funding

Colleges and Universities Twenty Terms Foundation of Jinan City 202228023National Natural Science Foundation of China 12004209Provincial Undergraduate Training Program on Innovation and Entrepreneurship S202510431080Shandong Technological Innovation Center for High-Value Development and Utilization of Bio-Health Food SDJSZX2025ZDRW07

6 · The paper itself

Abstract

The design of high-performance organic photothermal agents (PTAs) is often impeded by a limited understanding of their photothermal conversion mechanisms. Herein, through combined theoretical calculations with experimental investigations, we demonstrate a precise strategy for tuning photothermal conversion efficiency (PTCE) in donor-acceptor (D-A) molecules (namely, AD-IO, AD-NIO, and AD-BIO) bridged by a photo-driven rotatable C═C bond. By introducing tailored intramolecular interactions, molecular steric congestion is systematically increased, leading to enhanced structural nonplanarity, which in turn governs the excited-state rotational dynamics around the pivotal C═C bond. Such controlled C═C photorotation significantly accelerates nonradiative excited-state decay through conical intersections (CIs) to the ground (S

Indexed as

C═C photorotationconical intersectionsexcited‐state dynamics simulationsNIR photothermal conversionsteric congestion

Identifiers

PMID42199079

DOI10.1002/chem.71173

PMCPMC13569956

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.