Rotational spectroscopy of silicon-nitrogen molecules: SiH3NC and NH2Si

Lee, Kelvin

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https://hdl.handle.net/2142/104532 Copy

Description

Title

Rotational spectroscopy of silicon-nitrogen molecules: SiH3NC and NH2Si

Author(s)

Lee, Kelvin

Contributor(s)

• McCarthy, Michael C.
• Gottlieb, Carl A.
• Kocheril, G. Stephen

Issue Date

2019-06-20

Keyword(s)

Rotational structure/frequencies

Abstract

Silicon-nitrogen compounds are an important class of molecules, with implications in fields ranging from molecular astrophysics as refractory species in evolved stars, and in terrestrial applications such as chemical vapor deposition. In this talk, we present the gas-phase detection and microwave rotational spectroscopy of two new silicon-nitrogen molecules: silyl isocyanide (\chem{SiH_3NC}, $\tilde{X}~\mathrm{^1A_1}$) and aminosilane (\chem{H_2NSi}, $\tilde{X}~\mathrm{^2B_2}$). Both species are readily produced in an electrical discharge, combining silane (\chem{SiH_4}) with either methyl cyanide (\chem{CH_3CN}) or ammonia (\chem{NH_3}) to produce the species of interest. Using Fourier-transform and double resonance microwave spectroscopy, we were able to measure the three lowest rotational transitions (at 10, 20, 30\,GHz) for \chem{SiH_3NC}, and for \chem{H_2NSi}, the two lowest transitions at 30 and 60\,GHz. By substituting the precursors for rare-isotope enriched ones (e.g. $^{15}$NH$_3$), we were able to extend the measurements to several isotopologues: SiH$_3^{15}$NC and SiH$_3$N$^{13}$C for silyl isocyanide, and H$_2$~$^{15}$NSi, D$_2$NSi for aminosilane. The experiments are supplemented by high level quantum chemical calculations, which provided predictions of rotational constants, multipole moments, and in the case of aminosilane, the spin-rotation interaction tensor elements.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Permalink

http://hdl.handle.net/2142/104532

DOI

https://doi.org/10.15278/isms.2019.RI03

Copyright and License Information

Copyright 2019 Kelvin Lee

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