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- W2327674426 abstract "Aromaticity in silicon-containing molecules has been a controversy for more than a century. Combining molecular dynamics simulations with ab initio calculations, we show here that it is possible to obtain aromatic-like behavior with pure hydrogenated silicon clusters without the need for multiple bonds. To this end, we exploit the natural tendency of silicon toward overcoordination to construct electron-deficient molecules with ring structures. Even without the incorporation of any protective bulky substituents the resulting structures are more stable than any other known hydrogenated silicon nanoparticles of this size and exhibit aromatic-like properties due to strong electron delocalization." @default.
- W2327674426 created "2016-06-24" @default.
- W2327674426 creator A5011384626 @default.
- W2327674426 date "2012-05-25" @default.
- W2327674426 modified "2023-10-14" @default.
- W2327674426 title "Electron-Deficiency Aromaticity in Silicon Nanoclusters" @default.
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- W2327674426 doi "https://doi.org/10.1021/ct2008704" @default.
- W2327674426 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26593841" @default.
- W2327674426 hasPublicationYear "2012" @default.
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