Universität zu Köln

McCarthy, Michael C., Lattanzi, Valerio, Martinez, Oscar, Jr., Gauss, Juergen and Thorwirth, Sven ORCID: 0000-0001-8200-6710 (2013). Spectroscopic Detection and Structure of Hydroxidooxidosulfur (HOSO) Radical, An Important Intermediate in the Chemistry of Sulfur-Bearing Compounds. J. Phys. Chem. Lett., 4 (23). S. 4074 - 4080. WASHINGTON: AMER CHEMICAL SOC. ISSN 1948-7185

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Abstract

The rotational spectrum of hydroxidooxidosulfur, HOSO, an intermediate of particular interest in the combustion of sulfur-rich fuels, has been determined to high accuracy from gas-phase measurements. Detection of specific isotopic species using isotopically enriched gases suggests that HOSO is formed in our discharge nozzle via the reaction H + SO2 (+M) -> HOSO (+M). A precise experimental r(0) geometry has also been derived from the isotopic analysis; HOSO has a cis configuration, but the subtle structural question of its planarity remains unresolved. From the derived spectroscopic constants, in situ and remote sensing for this fundamental radical can now be undertaken in a variety of environments, including in combustion reactors, the troposphere of Earth, and Io, the innermost Galilean moon of Jupiter.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code McCarthy, Michael C. UNSPECIFIED UNSPECIFIED UNSPECIFIED Lattanzi, Valerio UNSPECIFIED UNSPECIFIED UNSPECIFIED Martinez, Oscar, Jr. UNSPECIFIED UNSPECIFIED UNSPECIFIED Gauss, Juergen UNSPECIFIED UNSPECIFIED UNSPECIFIED Thorwirth, Sven UNSPECIFIED orcid.org/0000-0001-8200-6710 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-470276
DOI:	10.1021/jz4021537
Journal or Publication Title:	J. Phys. Chem. Lett.
Volume:	4
Number:	23
Page Range:	S. 4074 - 4080
Date:	2013
Publisher:	AMER CHEMICAL SOC
Place of Publication:	WASHINGTON
ISSN:	1948-7185
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language CORRELATED MOLECULAR CALCULATIONS; GAUSSIAN-BASIS SETS; POTENTIAL-ENERGY SURFACE; COUPLED-CLUSTER; ATOMS ALUMINUM; CO OXIDATION; MANY-BODY; SO2; DERIVATIVES; ATMOSPHERE Multiple languages Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/47027