A theoretical study of the electronic spectrum of CCl2 |
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| Authors: | Tae-Kyu Ha H-U Gremlich RE Bühler |
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| Institution: | Laboratory of Physical Chemistry, Swiss Federal Institute of Technology, Zurich, Switzerland |
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| Abstract: | Ab into configuration interaction calculations for some low-lying electronic states of the dichlorocarbene radical (CCl2) have been carried out. The UV absorption band at 330 nm (3.76 eV) obtained by the pulse radiolysis experiment is confirmed and assigned to the 1A1 – 1B1 transition. The calculated transition energy amounts to 318.4 nm (3.90 eV). The first triplet state (3B1) is found to lie 0.83 eV above the 1A1 ground state. |
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