Kinetic hydricity of silane hydrides in the gas phase† †Electronic supplementary information (ESI) available: Cartesian coordinates for all calculated species, full citations for references with greater than 16 authors, and representative mass spectra are available. See DOI: 10.1039/c9sc02118c

Gas-phase experimental and computational methods reveal unknown intrinsic hydricity/nucleophilicity and electrophilicity parameters. Herein, gas phase studies of the kinetic hydricity of a series of silane hydrides are described. An understanding of hydricity is important as hydride reactions figure...

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Published in:Chemical science (Cambridge) 2019-07, Vol.10 (34), p.8002-8008
Main Authors: Xu, Jiahui, Krajewski, Allison E., Niu, Yijie, Kiruba, G. S. M., Lee, Jeehiun K.
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container_title Chemical science (Cambridge)
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Krajewski, Allison E.
Niu, Yijie
Kiruba, G. S. M.
Lee, Jeehiun K.
description Gas-phase experimental and computational methods reveal unknown intrinsic hydricity/nucleophilicity and electrophilicity parameters. Herein, gas phase studies of the kinetic hydricity of a series of silane hydrides are described. An understanding of hydricity is important as hydride reactions figure largely in many processes, including organic synthesis, photoelectrocatalysis, and hydrogen activation. We find that hydricity trends in the gas phase differ from those in solution, revealing the effect of solvent. Calculations and further experiments, including H/D studies, were used to delve into the reactivity and structure of the reactants. These studies also represent a first step toward systematically understanding nucleophilicity and electrophilicity in the absence of solvent.
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title Kinetic hydricity of silane hydrides in the gas phase† †Electronic supplementary information (ESI) available: Cartesian coordinates for all calculated species, full citations for references with greater than 16 authors, and representative mass spectra are available. See DOI: 10.1039/c9sc02118c
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