Charge Transfer Properties of Benzo[b]thiophene Ferrocenyl Complexes

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• 作者：Alessandro Donoli ; Annalisa Bisello ; Roberta Cardena ; Marco Crisma ; Laura Orian ; Saverio Santi
• 刊名：Organometallics
• 出版年：2015
• 出版时间：September 28, 2015
• 年：2015
• 卷：34
• 期：18
• 页码：4451-4463
• 全文大小：591K
• ISSN：1520-6041

文摘

The synthesis of 2-ferrocenylbenzo[b]thiophene, 3-ferrocenylbenzo[b]thiophene, 1,1鈥?bis(2-indene)ferrocene, and the two isomers of 1,1鈥?bis(2-benzo[b]thiophene)ferrocene was efficiently achieved by using the palladium-catalyzed Negishi C,C cross-coupling reaction of the appropriate bromobenzo[b]thiophene derivative with ferrocenylzinc chloride. The accessibility of differently substituted benzo[b]thiophenes and a comparison with indene analogues allowed an in-depth investigation on how the geometric modifications and the presence of sulfur affect their physical properties. The molecular structure of 3-ferrocenylbenzo[b]thiophene has been determined by X-ray diffraction. Electrochemistry and UV鈥搗is鈥揘IR spectroscopy, in particular the appearance upon oxidation of a charge transfer absorption in the NIR region, are rationalized through quantum chemistry calculations and in the framework of the Hush theory.