The B B-1(1) State of Cyclopropenylidene, c-C3H2

作者：Hemberger Patrick; Noller Bastian; Steinbauer Michael; Fischer Kathrin; Fischer Ingo^*

来源：Journal of Physical Chemistry Letters, 2010, 1(1): 228-231.

DOI：10.1021/jz900114r

The B B-1(1) <- X (1)A(1) transition of isolated cyclopropenylidene, c-C3H2, has been studied by multiphoton ionization and H-atom photofragment,Doppler spectroscopy. The carbene is produced by flash pyrolysis of 1-chlorocycloprop-2-ene. Three bands are observed at 271.0, 266.9, and 264.6 nm. The 271 nm band is assumed to be the origin of the transition, in agreement with TD-DFT computations that yield a vertical excitation energy of 4.74 eV (262 nm). The appearance of H-atom photofragments indicates that c-C3H + H is an important reaction channel at UV excitation energies.

• 出版日期2010-1