Izydorczyk Irena, Stoica Otilia, Krawiec Mariusz, Blieck Rémi, Zuzak Rafal, Stępień Marcin, Echavarren Antonio M, Godlewski Szymon
Centre for Nanometer-Scale Science and Advanced Materials, NANOSAM, Faculty of Physics, Astronomy and Applied Computer Science, Jagiellonian University, Łojasiewicza 11, PL 30-348 Krakow, Poland.
Institute of Chemical Research of Catalonia (ICIQ), Barcelona Institute of Science and Technology, Avenida Països Catalans 16, 43007 Tarragona, Spain.
Chem Commun (Camb). 2022 Mar 24;58(25):4063-4066. doi: 10.1039/d2cc00479h.
Cyclobuta[1,2-:3,4-']ditetracene - an analogue of nonacene with a cyclobutadiene unit embedded in the central part has been synthesized by the combination of solution and on-surface chemistry. The atomic structure and electronic properties of the product on Au(111) have been determined by high resolution scanning tunnelling microscopy/spectroscopy corroborated by density functional theory calculations. Structural and magnetic parameters derived from theoretical calculations reveal that π conjugation is dominated by radialene-type contribution, with an admixture of cyclobutadiene-like antiaromaticity.
环丁烷并[1,2-:3,4-']二并四苯——一种在中心部分嵌入环丁二烯单元的壬并四苯类似物，已通过溶液化学和表面化学相结合的方法合成出来。利用密度泛函理论计算进行佐证，通过高分辨率扫描隧道显微镜/光谱法确定了产物在Au(111)上的原子结构和电子性质。理论计算得出的结构和磁性参数表明，π共轭主要由类环戊二烯型贡献主导，并伴有类似环丁二烯的反芳香性混合。
