UV-Photoelectron Spectroscopic Studies on 2-Arylethynyl-1,3,2

Aug 17, 2010 - Lothar Weber,*,§ Vanessa Werner,§ Daniel Eickhoff,§ Hans-Georg ... 64013 Pau C´edex, France, and §Fakult¨at f¨ur Chemie der Univ...
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Organometallics 2010, 29, 5192–5198 DOI: 10.1021/om100352c

UV-Photoelectron Spectroscopic Studies on 2-Arylethynyl-1,3,2benzodiazaboroles† Anna Chrostowska,*,‡ Mazgorzata Maciejczyk,‡ Alain Dargelos,‡ Patrick Baylere,‡ Lothar Weber,*,§ Vanessa Werner,§ Daniel Eickhoff,§ Hans-Georg Stammler,§ and Beate Neumann§ Equipe Chimie Physique, IPREM, UMR 5254, Universit e de Pau et des Pays de l0 Adour, 2 Avenue du Pr esident Angot, BP 1155, 64013 Pau C edex, France, and §Fakult€ at f€ ur Chemie der Universit€ at Bielefeld, D-33615 Bielefeld, Germany ‡

Received April 27, 2010

Gas-phase He I photoelectron spectra of a series of 2-arylethynyl-1,3,2-benzodiazaboroles BEP-X [1 (X=H), 2 (X=Me), 3 (X=OMe), 4 (X=SMe), 5 (X=NMe2), 6 (X=Br)] have been recorded and assessed by density functional theory calculations. The first ionization energies of these benzodiazaboroles are in the order 5 (7.0 eV)