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
Chair of Organic Chemistry I, Department of Chemistry and Pharmacy, Friedrich-Alexander-Universität Erlangen-Nürnberg, Henkestrasse 42, 91054 Erlangen, Germany.
Department of Life Sciences, New York Institute of Technology, 1855 Broadway, New York, NY, 10023, USA.
Chem Asian J. 2017 Jan 3;12(1):31-35. doi: 10.1002/asia.201601452. Epub 2016 Dec 5.
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.
合成了一种稳定的手性杂[4]螺旋烯自由基阳离子，并通过紫外/可见吸收光谱、电子顺磁共振光谱以及X射线晶体学对其进行了表征。首次通过量子力学预测支持的包括电子圆二色光谱（ECD）、旋光色散（ORD）和振动圆二色光谱（VCD）在内的多种圆二色光谱方法相结合，得以阐明这种开壳层螺旋物种的绝对构型。
