Synthesis of antiaromatic tetrabenzodithiaamethyrin

Autor:	Nagao Kobayashi, Ryohei Kozumi, Hidemitsu Uno, Shigeki Mori, Masayoshi Takase, Tetsuo Okujima, Yoshiaki Chino
Rok vydání:	2021
Předmět:	Bicyclic molecule Computational chemistry Chemistry Condensation General Chemistry Antiaromaticity
Zdroj:	Journal of Porphyrins and Phthalocyanines. 25:1055-1063
ISSN:	1099-1409 1088-4246
DOI:	10.1142/s1088424621500966
Popis:	Bicyclo[2.2.2]octadiene(BCOD)-fused dithiaamethyrin 4 was synthesized via a “3+3” condensation method. Thermal conversion of the BCOD moieties afforded tetrabenzodithiaamethyrin 5. The highly planar structures of 4 and 5 were confirmed by X-ray diffraction studies. The 1H NMR, absorption and MCD spectra, together with TD-DFT calculations revealed that both BCOD-fused and [Formula: see text]-extended dithiaamethyrins have a 24[Formula: see text] antiaromatic character.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::04f5ad985d64d027a072f18a9a059593 https://doi.org/10.1142/s1088424621500966 Zobrazit plný text záznamu