A Gate to Organokrypton Chemistry:  HKrCCH

• Published in: Journal of the American Chemical Society Vol. 125; no. 23; pp. 6876 - 6877
• Main Authors: Khriachtchev, Leonid, Tanskanen, Hanna, Cohen, Arik, Gerber, R. Benny, Lundell, Jan, Pettersson, Mika, Kiljunen, Harri, Räsänen, Markku
• Format: Journal Article
• Language: English
• Published: Washington, DC American Chemical Society 11-06-2003
• Subjects: Atomic and molecular physics; Exact sciences and technology; Infrared spectra; Molecular properties and interactions with photons; Molecular spectra; Physics; Acetylene derivatives; Matrix isolation; Infrared spectroscopy; Electronic properties; Electronic structure; Electron affinity; Vibrational modes; Theoretical study; Electron charge distribution; Ab initio calculations; Experimental study; Krypton Organic compounds
• ISSN: 0002-7863; 1520-5126
• DOI: 10.1021/ja0355269

An organic molecule containing krypton, HKrCCH, is reported. The preparation of HKrCCH includes 193-nm photolysis of H2C2/Kr solid mixtures at 8 K and subsequent thermal mobilization of hydrogen atoms at ≥30 K. The identification is based on infrared absorption spectroscopy and supported by ab initio calculations which show ionic and covalent contributions to the bonding. We believe that a series of similar organokrypton molecules can be prepared as computationally demonstrated for HKrC4H and HKrC3H3. These results feature a generally novel way for activating chemically the H−C⋮C− group, which can find practical applications of the krypton catalysis.