Matsumoto Hiroki, Okujima Tetsuo, Mori Shigeki, Bacilla Ana C C, Takase Masayoshi, Uno Hidemitsu, Kobayashi Nagao
Graduate School of Science and Engineering, Ehime University, Matsuyama 790-8577, Japan.
Research Unit for Power Generation and Storage Materials, Ehime University, Matsuyama, 790-8577, Japan.
Org Lett. 2021 May 7;23(9):3442-3446. doi: 10.1021/acs.orglett.1c00899. Epub 2021 Apr 15.
Cyclo[9]pyrrole, a ring-expanded porphyrin without -bridges and having an odd number of pyrroles, was synthesized via the oxidative coupling of 2,2':5',2″-terpyrrole. X-ray crystallography showed a -like symmetry with a large root-mean-square deviation. The optical properties and electronic structures were analyzed using magnetic circular dichroism spectroscopy and time-dependent density functional theory calculations.
环[9]吡咯是一种无桥且吡咯数量为奇数的扩环卟啉，通过2,2':5',2″-三联吡咯的氧化偶联反应合成。X射线晶体学表明其具有类似α的对称性，且均方根偏差较大。利用磁圆二色光谱和含时密度泛函理论计算对其光学性质和电子结构进行了分析。
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