Experimentally Determined Structure of H2SiO by Rotational Spectroscopy and Isotopic Substitution

Equilibrium Structure and Fundamental Vibrational Wavenumbers in Difluorosilanone: An ab Initio Study

“…Such a structure is expected to be close to an equilibrium structure [26]. Therefore, Table 2 also contains computed equilibrium geometries and the experimentally [25] determined structure of H 2 SiO. One may thus also use the errors in the calculated SiO bond distances in H 2 SiO to correct the associated CCSD(T) data in F 2 SiO.…”

“…We have assigned an error bar (0.3 deg) which covers all theoretical values of this angle except for the lowest level used in this work (MP2/VTZ+1). For silanone H 2 SiO the r m q structure has been determined by rotational spectroscopy and isotopic substitution [25]. Such a structure is expected to be close to an equilibrium structure [26].…”

Silicium‐Sauerstoff‐Doppelbindungen: ein stabiles Silanon mit einem trigonal planar koordinierten Siliciumzentrum

“…Der geringe HOMO-LUMO-Abstand im Metallosilylen 3 lässt auf eine hohe Reaktivität dieser Verbindung schließen. In der Tat spaltet der Komplex 3 schnell die s-Bindungen von H 2 , NH 3 Die Si = O-Bindung (1.526(3) ) ist länger als die Si = O-Bindung von H 2 Si=O (1.515(2) ; mithilfe von Rotationspektroskopie bestimmt), [12] aber merklich kürzer als die der basenstabilisierten Silanone (1.531-1.579 ) (Schema 1, B) [15] und deutlich kürzer als die Si-O-Einfachbindungen in 5 (1.631(2) und 1.640(2) ). Die Cr-Si-Bindung in 4 (2.317(3) ) ist geringfügig kürzer als eine typische Cr-Si-Einfachbindung (2.399 ).…”

Dimethylsilanone Generation from Pyrolysis of Polysiloxanes Filled with Nanosized Silica and Ceria/Silica

“…Previously, they had only been detected and studied spectroscopically in solid noble gas matrices at low temperatures . The existence of the silanone molecules and ions had also been observed in the gas phase …”

“…[28][29][30][31] The existence of the silanone molecules and ions had also been observed in the gas phase. [32,33] Several experimental studies have suggested that silanones are formed as intermediates in the thermalr eactions of lowmolecular organosilicon compounds such as silylperoxides and hydrosilylperoxides, siloxetanes, silenes,h ydridosilylketenes, allyloxysilanes, alkoxyvinylsilanes, and polysilylated diazomethanes. [16,[34][35][36][37][38][39] Linear and cyclic PDMS were reported to generate dimethylsilanone.…”