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Solid-State 29Si NMR Study of RSiSiR:  A Tool for Analyzing the Nature of the Si−Si Bond

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Department of Chemistry, Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba, Ibaraki 305-8571, Japan, Organosilicon Research Center, Department of Chemistry, University of Wisconsin, Madison, Wisconsin 53706-1396, and Schulich Faculty of Chemistry and the Lise Meitner-Minerva Center for Computational Quantum Chemistry, Technion-Israel Institute of Technology, Haifa 32000, Israel
Cite this: J. Am. Chem. Soc. 2006, 128, 45, 14472–14473
Publication Date (Web):October 19, 2006
https://doi.org/10.1021/ja065817s
Copyright © 2006 American Chemical Society
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Abstract

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The first solid state 29Si NMR of a disilyne, that is, RSiSiR, R = Si(CH(SiMe3)2)2(i-Pr) (1) was measured:  δ11 = 364 ± 20; δ22 = 221 ± 16 and δ33 = −350 ± 13; CSA = −643 ppm. These measured values as well as calculations for model disilynes strongly support the description of the Si−Si bond in bent disilynes as a triple bond, although with weakened π-bonds and a reduced bond order of 2.6.

§

 Technion-Israel Institute of Technology.

‡

 University of Tsukuba.

*

In papers with more than one author, the asterisk indicates the name of the author to whom inquiries about the paper should be addressed.

#

 University of Wisconsin.

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Calculated Cartesian coordinates of 2 and 3 and geometry parameters of 1, 2, and 3; complete ref 14a. This material is available free of charge via the Internet at http://pubs.acs.org.

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