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All DFT calculations were performed with the Turbomole program package.[5a] The geometries and energies were obtained with the BP functional[5b,c] and a TZVP basis set[5d] using unrestricted wavefunctions. The transition state was obtained using an eigenvector-following algorithm.[5e] Spin densities for the transition state were calculated using the Mulliken population analysis scheme. a) Turbomole5.3: R. Ahlrichs, M. Bär, H.-P. Baron, R. Bauernschmitt, S. Böcker, M. Ehrig, K. Eichkorn, S. Elliot, F. Furche, F. Haase, M. Häser, H. Horn, C. Huber, U. Huniar, M. Kattanek, C. Kölmel, M. Kollwitz, K. May, C. Ochsenfeld, H. Öhm, A. Schäfer, U. Schneider, O. Treutler, M. von Armin, F. Weigend, P. Weis, H. Weiss, Universität Karlsruhe, 2002;
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2 flash chromatography to yield cis-3 (189 mg, 66%).
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