(11) All spectral data for the previous compound were identical with those of 7. (12) The ab initio MO calculations for 10 and 11 were carried out by using a 3-21G basis set.14 The geometries were optimized with the energy gradient technique. (13) Morokuma, K.; Kato, S.; Kitaura, K.; Ohmine, I.; Sakai, S.; Obara, S. IMS Computer Center Program Library, The Institute for Molecular Science, 1980; Program No. 0372. (14) (a) Gorden, M. S.; Binkley, JS; Pople, J. A.; Pietre, ...