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IR Spectrum and Structure of Protonated Monosilanol: Dative Bonding between Water and the Silylium Ion**

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 silanole 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 is mainly related to their different electronegativity and the different energy of the vacant valence pz orbital of SiH3+ and CH3+.

Autoren:   Martin Andreas Robert George, Nguyen Xuan Truong, Marco Savoca, Otto Dopfer
Journal:   Angewandte Chemie International Edition
Jahrgang:   2018
Seiten:   n/a
DOI:   10.1002/anie.201712999
Erscheinungsdatum:   17.01.2018
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