Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
H/D isotope effect observed in the isotropic Fermi contact interaction of formyl radical: Experimental and theoretical analysis of the inter- and intra-molecular dynamics
Ioffe Institute, 26 Politekhnicheskaya Street, 194021 St Petersburg, Russia.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, People’s Republic of China; Centre of Advanced Research in Bionanoconjugates and Biopolymers, Petru Poni Institute of Macromolecular Chemistry, Aleea Grigore Ghica-Voda, 41A, 700487 Iasi, Romania; Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, SE-106 91 Stockholm, Sweden.ORCID iD: 0000-0001-9783-4535
Department of Chemical Engineering, University of Western Macedonia, Kila Kozani 501 00, Greece.
2020 (English)In: AIP Advances, E-ISSN 2158-3226, Vol. 10, no 12, article id 125309Article in journal (Refereed) Published
Abstract [en]

An unexpected deficit of the computed hyper fine coupling constant in normal formyl HCO radicals, compared to that expected based on the proton to deuteron gyromagnetic ratio of the DCO species, was observed in experimental electron paramagnetic resonance studies of HCO and DCO radicals in a CO solid matrix at cryogenic conditions. Still, the matrix was found to have only a small effect on the anisotropic parts of the magnetic parameter tensors. The underlying isotope effect between the lighter proton and the heavier deuteron on the motional dynamics was verified and elucidated by quantum chemical calculations. The experimental results obtained within a temperature range of 1.4 K–4.2 K require special attention due to the tunneling motions of the molecule and its constituent particles. The effect from vibrational, rotational, and librational motion observed in the molecular states of formyl as a probe, averaged over the dynamics of the low temperature CO matrix isolation, reveals a clear proton isotope effect under both classical and quantum conditions.

Place, publisher, year, edition, pages
American Institute of Physics (AIP), 2020. Vol. 10, no 12, article id 125309
National Category
Energy Engineering
Research subject
Energy Engineering
Identifiers
URN: urn:nbn:se:ltu:diva-82183DOI: 10.1063/5.0027835ISI: 000597318600002Scopus ID: 2-s2.0-85097585517OAI: oai:DiVA.org:ltu-82183DiVA, id: diva2:1514709
Funder
Swedish Research Council, 2019-03865
Note

Validerad;2021;Nivå 2;2021-01-07 (alebob);

Finansiär: HPC-EUROPA3 (INFRAIA-2016-1-730897), PDC in KTH (PDC-2018-3-180), Ministry of Research and Innovation of Romania (PN-III-P4-IDPCCF-2016-0050)

Available from: 2021-01-07 Created: 2021-01-07 Last updated: 2024-12-03Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full textScopus

Authority records

Laaksonen, Aatto

Search in DiVA

By author/editor
Laaksonen, Aatto
By organisation
Energy Science
In the same journal
AIP Advances
Energy Engineering

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 64 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf