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 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 Subject(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. Issue Date: 2014-06-18 Publisher: International Symposium on Molecular Spectroscopy Citation Info: Thorwirth, S.; McCarthy, M.C.; Lattanzi, V. PHOSPHORUS AND SILICON ANALOGS OF ISOCYANIC ACID: FOURIER-TRANSFORM MICROWAVE SPECTROSCOPY OF HPCO AND HNSiO. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.WJ06 Genre: CONFERENCE PAPER/PRESENTATION Type: Text Language: English URI: http://hdl.handle.net/2142/51039 DOI: 10.15278/isms.2014.WJ06 Rights Information: Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/ Date Available in IDEALS: 2014-09-172015-04-14
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