Tetracene and pentacene are large, promising building blocks for construction of complex molecular nanocarbons due to their extraordinary photophysical and electronic properties. Herein, two acene‐integrated buckybowls, composed of two rows of tetracenes and pentacenes fused through s‐indacene unit at the zigzag edges, have been synthesized and characterized. Compared to parent tetracene and pentacene, the buckybowls are extremely stable and show much smaller electrochemical band gaps. Kinetic studies gave the bowl‐to‐bowl inversion barriers of 11.7 and 13.3 kcal mol‐1. Subsequent investigations on magnetic ring currents revealed two local diatropic currents at two rows of acenes and one paratropic current at the s‐indacene unit, respectively. Notably, both buckybowls show a broad absorption that reaches into near‐infrared II region, and a high photothermal conversion efficiency (> 90%) was achieved when exposed to near‐infrared 1064 nm laser photo‐irradiation. This study highlights the unusual nature of merging the intrinsic properties of acenes with the inherent properties of buckybowls and showcases a potential avenue for acene utilization for the design of novel complex nanocarbons with a broad range of applications.

中文翻译：

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Acene 集成巴基碗具有近红外 II 吸收和超过 90% 的光热转换效率


并四苯和并五苯由于其非凡的光物理和电子特性，是构建复杂分子纳米碳的大而有前景的构建块。在此，合成并表征了两个并苯集成的巴基碗，由两排并四苯和并五苯通过锯齿形边缘处的s-indacene单元融合组成。与母体并四苯和并五苯相比，巴基碗非常稳定，并且显示出更小的电化学带隙。动力学研究给出了 11.7 和 13.3 kcal mol-1 的碗间反转势垒。随后对磁环电流的研究表明，两排并苯处分别存在两个局部变向电流，而s-苯并苯单元处则有一个顺向电流。值得注意的是，两个巴基碗都表现出广泛的吸收，达到近红外 II 区，并且当暴露于近红外 1064 nm 激光光照射时，实现了高光热转换效率 (> 90%)。这项研究强调了并苯的固有性质与巴基碗的固有性质相结合的不寻常性质，并展示了并苯利用来设计具有广泛应用的新型复杂纳米碳的潜在途径。