Phosphorus And Silicon Analogs Of Isocyanic Acid: Fourier-transform Microwave Spectroscopy Of Hpco And Hnsio

Thorwirth, Sven

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https://hdl.handle.net/2142/51039 Copy

Description

Title

Phosphorus And Silicon Analogs Of Isocyanic Acid: Fourier-transform Microwave Spectroscopy Of Hpco And Hnsio

Author(s)

Thorwirth, Sven

Contributor(s)

• McCarthy, Michael C.
• Lattanzi, Valerio

Issue Date

2014-06-18

Keyword(s)

Structure determination

Abstract

By means of Fourier transform microwave spectroscopy of a supersonic jet, the pure rotational spectra of two second-row analogs to isocyanic acid, HNCO, have been observed for the first time. The phosphorus and silicon analogs HPCO and HNSiO, respectively, were observed by their fundamental $a$-type rotational transitions ($\mu_{a(\textrm{HPCO})}$= 0.45 D, $\mu_{a(\textrm{HNSiO})}$= 2.10 D) in the centimeter wave range from 10 to 32 GHz through discharges of appropriate precursor gases highly diluted in neon. Spectroscopic searches and identification were based on predictions from high-level quantum-chemical calculations at the CCSD(T) level of theory in combination with large basis sets. Excellent agreement between experimental and calculated molecular parameters is found. In case of HPCO, the $^{13}$C isotopic species was also observed. Since both the stem compound HNCO and its sulphur analog HNCS are known to be present in space, and because also a sizable number of phosphorus and silicon-bearing species were detected there, both compounds are plausible targets for future radio astronomical searches using sensitive radio astronomical instrumentation.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/51039

DOI

https://doi.org/10.15278/isms.2014.WJ06

Copyright and License Information

Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/

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