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IR Spectrum and Structure of Protonated Monosilanol: Dative Bonding between Water and the Silylium Ion
Author(s) -
George Martin Andreas Robert,
Truong Nguyen Xuan,
Savoca Marco,
Dopfer Otto
Publication year - 2018
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201712999
Subject(s) - chemistry , protonation , photodissociation , electronegativity , density functional theory , silanol , ion , computational chemistry , chemical bond , chemical physics , photochemistry , organic chemistry , catalysis
We report the spectroscopic characterization of protonated monosilanol (SiH 3 OH 2 + ) 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 SiH 3 OH 2 + 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 SiH 3 OH 2 + is analyzed by density functional theory (DFT) calculations, providing detailed insight into the nature of the dative H 3 Si + ‐OH 2 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 p z orbital of SiH 3 + and CH 3 + .