DFT Study of Internal Alkyne-to-Disubstituted Vinylidene Isomerization in [CpRu(PhC≡CAr)(dppe)]+

[1 ]Department of Chemistry and Biochemistry, Graduate School of Humanities and Sciences, Ochanomizu University, Otsuka, Bunkyo-ku, Tokyo 112-8610, Japan

[2 ]Department of Applied Chemistry, Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551, Japan