Back Cover: Infrared Spectrum of the Adamantane+–Water Cation: Hydration‐Induced C−H Bond Activation and Free Internal Water Rotation (Angew. Chem. Int. Ed. 29/2020). Issue 29 (22nd June 2020)

• Record Type: Journal Article
• Authors: George, Martin Andreas Robert; Förstel, Marko; Dopfer, Otto
• Is Part Of: Angewandte Chemie international edition. Volume 59:Issue 29(2020)
• Page Start: 12224
• Page End: 12224
• Publication Date: 2020-06-22
• Subjects: adamantane cation -- C−H activation -- hydration -- IR spectroscopy -- structure elucidation; Chemistry -- Periodicals; 540
• DOI: 10.1002/anie.202007850
• Languages: English
• ISSNs: 1433-7851

Abstract

Abstract : The C−H bond activation of the Jahn–Teller distorted adamantane cation by a single H2 O molecule is probed by IR spectroscopy and DFT calculations in the Research Article by O. Dopfer and co‐workers on page 12098 . The results provide a quantitative molecular‐level understanding of the initial activation by a single polar solvent molecule in the radical cation mechanism for the functionalization of diamondoids. A drastic C−H stretch frequency shift along with quasi‐free internal rotation of the H2 O ligand is observed.