Tuning optical properties of π-conjugated double nanohoops under external electric field stimuli-responsiveness

• Published in: Physical chemistry chemical physics : PCCP Vol. 26; no. 11; pp. 8716 - 8723
• Main Authors: Huang, Xiao, Gan, Ping-yao, Gao, Feng-wei, Su, Zhong-min
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry 13.03.2024
• Subjects: Carbon; Charge transfer; Electric fields; Nanomaterials; Nonlinear optics; Optical properties; Physical properties; Stimuli
• ISSN: 1463-9076; 1463-9084
• DOI: 10.1039/d3cp05504c

Carbon nanorings have attracted substantial interest from synthetic chemists due to their unique topological structures and distinct physical properties. An intriguing π-conjugated double-nanoring structure, denoted as [8]CPP-[10]cyclacene, was constructed via the integration of [8]cycloparaphenylene ([8]CPP) into [10]cyclacene. Using the external electric field stimuli-responsiveness of [8]CPP-[10]cyclacene, directional charge transfer can be induced, resulting in the emergence of intriguing properties. The effects of the external electric field in three specific directions were explored, vertically in the [8]CPP unit ( F y ), vertically in the [10]cyclacene unit ( F z ), and horizontally along the double nanorings diameter ( F x ). Interestingly, the external electric field vertically to the [10]cyclacene unit significantly enhanced the first hyperpolarizability ( β tot ) compared to that vertically to the [8]CPP unit. Notably, [8]CPP-[10]cyclacene under F x exhibited significantly larger the β tot values (1.48 × 10 5 a.u.) than those of vertical F y and F z . This work opens up a wide range of nonlinear optics, making it a compelling area to explore in the field of carbon nanomaterials. An intriguing double-nanoring structure was constructed via the integration of [8]CPP into [10]cyclacene. This work investigates the impact of EEFs in three specific directions. Under F x , [8]CPP-[10]cyclacene exhibits higher first hyperpolarizability than under F y and F z .