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- W2051107029 abstract "The addition of silylenes and germylenes to triple-bond systems has been investigated with density functional theory methods. The experimentally observed formation of bis(silacyclopropenes) upon reaction of silylenes with 1,3-diynes is explained in terms of their much higher thermodynamic stability compared to the alternative acetylene-linked bis(silaethenes). For the germanium counterparts, the energetic difference is calculated to be much smaller and is reversed for the addition to 1,3-diacetylene in the case of very bulky germylenes (Ge(2-t-Bu-Ph)2). Silylenes add to triple bonds in a concerted reaction; no intermediate π complex nor transition state has been located, which is also true for most germylenes. Again, only for sterically demanding germylenes could these stationary points be found with a barrier between intermediate and TS of 1.7 kJ/mol. Generally, the additions of silylenes and germylenes to triple-bond systems take place in an electrophilic manner and appear to have the same mechanism." @default.
- W2051107029 created "2016-06-24" @default.
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- W2051107029 date "2004-02-25" @default.
- W2051107029 modified "2023-09-26" @default.
- W2051107029 title "Silylene and Germylene Additions to 1,3-Diynes: Bis(silacyclopropenes) versus Germaethenes Formation, a DFT Study" @default.
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- W2051107029 doi "https://doi.org/10.1021/om030502w" @default.
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