Experimental evidence and bond characterization of a cyclopropenylgermylene |
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| Authors: | Shinobu Tsutsui Hiromasa Tanaka Shigeki Matsumoto |
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| Institution: | a Photodynamics Research Center, RIKEN (The Institute of Physical and Chemical Research), 519-1399 Aoba, Aramaki, Aoba-ku, Sendai 980-0845, Japan
b Department of Chemistry, Graduate School of Science, Tohoku University, Aoba-ku, Sendai 980-8578, Japan |
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| Abstract: | The reduction of p-anisyl(1,2,3-tri-tert-butylcycloprop-2-en-1-yl)dichlorogermane (1) with potassium in the presence of an excess of tert-butyldimethylsilane in benzene under reflux gave p-anisyl(tert-butyldimethylsilyl)(1,2,3-tri-tert-butylcycloprop-2-en-1-yl)germane (4) in 15% yield. The formation of 4 indicates that p-anisyl(1,2,3-tri-tert-butylcycloprop-2-en-1-yl)germylene (2), which is the first example of a (cycloprop-2-en-1-yl)germylene derivative, was generated and trapped by the hydrosilane. The DFT calculations revealed that the cis-2-p-anisyl-1,3,4-tri-tert-butyl-2-germabicyclo1.1.0]butane-2,4-diyl structure cis-5 is 8.0 kJ/mol more stable than cis-2. The NBO analysis revealed that cis-5 has a 2-germabicyclo1.1.0]butane diradical character. |
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| Keywords: | Organogermanium compound Germylene Cyclopropene Density functional theory Natural bond orbital analysis |
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