IR Spectrum and Structure of Protonated Monosilanol: Dative Bonding between Water and the Silylium Ion |
| |
| Authors: | M. Sc. Martin Andreas Robert George Dr. Nguyen Xuan Truong Dipl.‐Phys. Marco Savoca Prof. Dr. Otto Dopfer |
| |
| Affiliation: | Institut für Optik und Atomare Physik, Technische Universit?t Berlin, Berlin, Germany |
| |
| Abstract: | We report the spectroscopic characterization of protonated monosilanol (SiH3OH2+) isolated in the gas phase, thus providing the first experimental determination of the structure and bonding of a member of the elusive silanol family. The SiH3OH2+ ion is generated in a silane/water plasma expansion, and its structure is derived from the IR photodissociation (IRPD) spectrum of its Ar cluster measured in a tandem mass spectrometer. The chemical bonding in SiH3OH2+ is analyzed by density functional theory (DFT) calculations, providing detailed insight into the nature of the dative H3Si+‐OH2 bond. Comparison with protonated methanol illustrates the differences in bonding between carbon and silicon, which are mainly related to their different electronegativity and the different energy of the vacant valence pz orbital of SiH3+ and CH3+. |
| |
| Keywords: | dative bonds IR spectroscopy silanols silyl cations structure elucidation |
|
|
