Cyclohexene‐Embedded Dicyanomethylene Merocyanines – Consecutive Three‐Component Coupling‐Addition Synthesis and Chromophore Characteristics

Autor:	Dr. Julian Papadopoulos, Dr. Guido J. Reiss, Dr. Bernhard Mayer, Prof. Dr. Thomas J. J. Müller
Jazyk:	angličtina
Rok vydání:	2023
Předmět:	cross-coupling DFT calculations merocyanines Michael addition multicomponent reactions Chemistry QD1-999
Zdroj:	ChemistryOpen, Vol 12, Iss 9, Pp n/a-n/a (2023)
Druh dokumentu:	article
ISSN:	2191-1363
DOI:	10.1002/open.202300128
Popis:	Abstract A concise and efficient consecutive three‐component alkynylation‐addition synthesis of cyclohexene‐embedded dicyanomethylene merocyanines furnishes a small library of dyes in moderate to excellent yield. The dyes possess strong absorption coefficients of the longest wavelength absorption bands. According to the crystal structure, the small bond length alternations account for a highly delocalized electronic ground state. The electronic structure of the absorption bands is qualitatively rationalized by TDDFT calculations, which explain that intense HOMO‐LUMO transitions along the merocyanine axis lead to cyanine similar Stokes shifts.
Databáze:	Directory of Open Access Journals
Externí odkaz:	https://doaj.org/article/d9291190f2d84267921c97bfec5ffa09 Zobrazit plný text záznamu View record in DOAJ Plný text ve formátu PDF Plný text ve formátu HTML
Nepřihlášeným uživatelům se plný text nezobrazuje	K zobrazení výsledku je třeba se přihlásit.