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

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