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Pure Appl. Chem., 2010, Vol. 82, No. 3, pp. 603-612

Published online 2010-02-24

Synthesis and structure of stable 1,2-diaryldisilyne

Takahiro Sasamori1, Joon Soo Han1, Koji Hironaka1, Nozomi Takagi2, Shigeru Nagase2 and Norihiro Tokitoh1*

1 Institute for Chemical Research, Kyoto University, Gokasho, Uji, Kyoto 611-0011, Japan
2 Department of Theoretical Molecular Science, Institute for Molecular Science, Myodaiji, Okazaki 444-8585, Japan

Abstract: A novel 1,2-diaryldisilyne, BbtSi≡SiBbt (Bbt = 2,6-bis[bis(trimethylsilyl)methyl]-4-[tris(trimethylsilyl)methyl]phenyl), was synthesized as a stable compound by reduction of the corresponding 1,2-dibromodisilene, Bbt(Br)Si=Si(Br)Bbt. The spectral and structural features of this first stable 1,2-diaryldisilyne are revealed, and the Si≡Si triple-bond character is evaluated with the aid of detailed theoretical calculations. The triple-bond characters of BbtSi≡SiBbt and BbtGe≡GeBbt are compared based on experimental and theoretical results.