Donor‐Stabilized 1,3‐Disila‐2,4‐diazacyclobutadiene with a Nonbonded Si⋅⋅⋅Si Distance Compressed to a Si=Si Double Bond Length |
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| Authors: | Dr David Gau Raphael Nougué Dr Nathalie Saffon‐Merceron Dr Antoine Baceiredo Dr Abel De Cózar Prof Fernando P Cossío Dr Daisuke Hashizume Dr Tsuyoshi Kato |
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| Institution: | 1. http://hfa.ups‐tlse.fr;2. Université de Toulouse, UPS, and CNRS, LHFA UMR 5069, Toulouse cedex 9, France;3. Université de Toulouse, UPS, ICT-FR2599, Toulouse cedex 9, France;4. Universidad del País Vasco, Euskal Herriko Unibertsitatea Facultad de Química and Centro de Innovación en Química Avanzada (ORFEO-CINQA), San Sebastián—Donostia, Spain;5. Donostia International Physics Center (DIPC), San Sebastián—Donostia, Spain;6. IKERBASQUE, Basque Foundation for Science, Bilbao, Spain;7. Materials Characterization Support Unit, RIKEN Center for Emergent Matter Science (CEMS), Wako, Saitama, Japan |
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| Abstract: | A donor‐stabilized 1,3‐disila‐2,4‐diazacyclobutadiene presents an exceptionally short nonbonded Si???Si distance (2.23 Å), which is as short as that of Si=Si bonds (2.15–2.23 Å). Theoretical investigations indicate that there is no bond between the two silicon atoms, and that the unusual geometry can be related to a significant coulomb repulsion between the two ring nitrogen atoms. This chemical pressure phenomenon could provide an alternative and superior way of squeezing out van der Waals space in highly strained structures, as compared to the classical physical methods. |
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| Keywords: | density functional calculations reactive intermediates silicon small ring systems structure elucidation |
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