Nature Communications: the successful synthesis of conjugated Mobius sorense hydrocarbon by Institute of physics and chemistry, Chinese Academy of Sciences

The conjugated system with Mobius conformation at the molecular level has unique molecular properties, which is of great significance in the field of molecular synthesis and theoretical basis of aromaticity The conjugated molecules of Mobius conformation are usually in metastable structure The synthesis and characterization of such molecules has long been a difficulty in synthetic chemistry It is more challenging to construct more complex supramolecular complexes based on Mobius conjugated molecules Recently, the research team of Supramolecular Photochemistry of Institute of physical and chemical technology of Chinese Academy of Sciences and researchers of Xiamen University cooperated to synthesize p-phenylene all conjugated alkanes efficiently by copper template method, and revealed by single crystal X-ray diffraction that the alkanes in solid state are composed of two conjugated carbon rings with stable Mobius conformation The theoretical calculation results show that there is a non covalent π - π interaction between the conjugated carbon rings of soxhydrocarbons up to 84 kcal / mole, which is the key to stabilize the conformation of Mobius in the molecular solid state The theoretical model confirmed the conjugation and aromaticity of the system The combination of synthetic chemistry and theoretical chemistry is of great significance for the exploration of molecules with complex and novel structures P-phenylene-all-conjugated sodehydrocarbons can be used not only as a component of the interlocking supramolecular structure, but also as a new type of Mobius conjugated molecule This study provides a new idea for molecular design and exploration of aromaticity and bonding law Relevant research results are published in nature communications (DOI: 10.1038/s41467-018-05498-6) Cong Huan, a researcher of the Institute of physics and chemistry, is the corresponding author of the paper and leads the research work Zhu Jun, a professor of Xiamen University, is responsible for the research of theoretical calculation as a co corresponding author Fan Yangyang, a graduate student of the Institute of physics and chemistry, Chen Dandan, a graduate student of Xiamen University, and Huang zeao, a postdoctoral student of the Institute of physics and chemistry are the co first authors of the paper The relevant research has been supported by the strategic leading science and technology program of the Chinese Academy of Sciences, the national key research and development plan, the National Natural Science Foundation of China, the central organization department and the China Postdoctoral Science Foundation.