dc.contributor.author
Andrews, Lester S.
dc.contributor.author
Tsegaw, Yetsedaw A.
dc.contributor.author
Cho, Han-Gook
dc.contributor.author
Hasenstab-Riedel, Sebastian
dc.date.accessioned
2023-02-02T09:10:47Z
dc.date.available
2023-02-02T09:10:47Z
dc.identifier.uri
https://refubium.fu-berlin.de/handle/fub188/37120
dc.identifier.uri
http://dx.doi.org/10.17169/refubium-36833
dc.description.abstract
Mercuric oxide is a well-known and stable solid, but the diatomic molecule Hg-O is very fragile and do not survive detection in the gas phase. However, laser ablation of Hg atoms from a dental amalgam target into argon or neon containing about 0.3% of 16 O 2 or of 18 O 2 during their condensation into a cryogenic matrix at 4 K allows the formation of O atoms which react on annealing to make ozone and new IR absorptions in solid argon at 521.2 cm –1 for Hg- 16 O or at 496.4 cm –1 for Hg- 18 O with the oxygen isotopic frequency ratio 521.2/496.4 = 1.0500. Solid neon gives a 529.0 cm –1 absorption with a small 7.8 blue shift. CCSD(T) calculations found 594 cm –1 for Hg 16 O and 562 cm –1 for Hg 18 O (frequency ratio = 1.0569). Such calculations usually produce harmonic frequencies that are slightly higher than the anharmonic (observed) values, which supports their relationship. These observed frequencies have the isotopic shift predicted for Hg-O and are within the range of recent high-level frequency calculations for the Hg-O molecule. Spectra for the related mercury superoxide and ozonide species are also observed for the first time.
en
dc.format.extent
5 Seiten
dc.subject
18O substitution
en
dc.subject
CCSD(T) calculations
en
dc.subject
Infrared matrix-isolation spectroscopy
en
dc.subject.ddc
500 Naturwissenschaften und Mathematik::540 Chemie::540 Chemie und zugeordnete Wissenschaften
dc.title
Observation and Characterization of the Hg-O Diatomic Molecule: A Matrix-Isolation and Quantum-Chemical Investigation
dc.type
Wissenschaftlicher Artikel
dcterms.bibliographicCitation.articlenumber
e202202740
dcterms.bibliographicCitation.doi
10.1002/chem.202202740
dcterms.bibliographicCitation.journaltitle
Chemistry—A European Journal
dcterms.bibliographicCitation.number
7
dcterms.bibliographicCitation.volume
29
dcterms.bibliographicCitation.url
https://doi.org/10.1002/chem.202202740
refubium.affiliation
Biologie, Chemie, Pharmazie
refubium.affiliation.other
Institut für Chemie und Biochemie
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refubium.funding
DEAL Wiley
refubium.note.author
Die Publikation wurde aus Open Access Publikationsgeldern der Freien Universität Berlin gefördert.
refubium.resourceType.isindependentpub
no
dcterms.accessRights.openaire
open access
dcterms.isPartOf.eissn
1521-3765