Configurationally Stable Chiral Dithia‐Bridged Hetero[4]helicene Radical Cation: Electronic Structure and Absolute Configuration. Issue 1 (5th December 2016)

• Record Type: Journal Article
• Authors: Gliemann, Bettina D.; Petrovic, Ana G.; Zolnhofer, Eva M.; Dral, Pavlo O.; Hampel, Frank; Breitenbruch, Georg; Schulze, Philipp; Raghavan, Vijay; Meyer, Karsten; Polavarapu, Prasad L.; Berova, Nina; Kivala, Milan
• Is Part Of: Chemistry, an Asian journal. Volume 12:Issue 1(2017)
• Page Start: 31
• Page End: 35
• Publication Date: 2016-12-05
• Subjects: absolute configuration -- cations -- chiroptical methods -- helicenes -- radicals; Chemistry -- Periodicals; 540.5
• DOI: 10.1002/asia.201601452
• Languages: English
• ISSNs: 1861-4728

Abstract

Abstract: A stable chiral hetero[4]helicene radical cation was synthesized and characterized by UV/Vis absorption and EPR spectroscopy, as well as X‐ray crystallography. For the first time, a combination of chiroptical methods involving ECD, ORD, and VCD, supported by quantum mechanical predictions, enabled the elucidation of the absolute configuration of such open‐shell helical species. Abstract : Radically chiral : Stable chiral hetero[4]helicene radical cations were obtained and their absolute configurations were determined by a combination of chiroptical spectroscopy and quantum mechanical predictions.