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As solvation model the PCM method (Cossi, M.; Barone, V.; Cammi, R.; Tomasi, J. J. Chem. Phys. 1996, 255, 327-335) was applied, which only corrects the electronic energies Δε.
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47
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19144364488
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note
-
Crystallographic data (excluding stucture factors) for the structure 1c reported in this paper have been deposited with the Cambridge Crystallographic Data Centre as supplementary publication no CCDC 257469. Copies of the data can be obtained, free of charge, on application to CCDC, 12 Union Road, Cambridge CB2 1EZ, UK (fax: +44(0)-1223-336033 or e-mail: deposit@ccdc.cam.ac.uk).
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