AI Article Synopsis
- Introducing alkynyl-iron moieties to a carbo[6]helicene results in new organometallic helicenes (2 a,b) with notable chiroptical properties and redox-switching capabilities.
- The study utilized electronic and vibrational circular dichroism, along with Raman optical activity (ROA) spectroscopy, to explore the neutral and oxidized states of these compounds.
- Advanced ROA calculations under resonance conditions were employed to understand the complex resonance effects on the ROA spectrum of one specific compound, mono-iron ethynylhelicene 2 a.
Article Abstract
Introducing one or two alkynyl-iron moieties onto a carbo[6]helicene results in organometallic helicenes (2 a,b) that display strong chiroptical activity combined with efficient redox-triggered switching. The neutral and oxidized forms have been studied in detail by electronic and vibrational circular dichroism, as well as by Raman optical activity (ROA) spectroscopy. The experimental results were analyzed and spectra were assigned with the help of first-principles calculations. In particular, a recently developed method for ROA calculations under resonance conditions has been used to study the intricate resonance effects on the ROA spectrum of mono-iron ethynylhelicene 2 a.
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| http://dx.doi.org/10.1002/chem.201803069 | DOI Listing |
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