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
Molecular geometry and vibrational spectroscopy of potassium O,O-diethyldithiophosphate
Department of Physical Chemistry, Budapest University of Technology and Economics, Budapest.
Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.ORCID iD: 0000-0001-9794-8305
2006 (English)In: Vibrational Spectroscopy, ISSN 0924-2031, E-ISSN 1873-3697, Vol. 40, no 1, p. 89-97Article in journal (Refereed) Published
Abstract [en]

The aim of this work was to build a good theoretical and experimental basis for the further study of changes in structure and spectra of the O,O-diethyldithiophosphate anion upon its adsorption on the surfaces of transition metal sulfides.Infrared and Raman spectra of potassium O,O-diethyldithiophosphate were recorded. High level quantum chemical calculations were carried out to optimize the molecular geometry of both the potassium salt and its anion. Vibrational force constants were calculated from the second derivative of the molecular energy function with respect to the Cartesian coordinates of the atoms. With the aid of the optimized geometry and the calculated vibrational force constants a normal coordinate analysis was carried out to characterize the molecular vibrational modes and to assign the vibrational frequencies.

Place, publisher, year, edition, pages
2006. Vol. 40, no 1, p. 89-97
National Category
Physical Chemistry
Research subject
Chemistry of Interfaces
Identifiers
URN: urn:nbn:se:ltu:diva-8744DOI: 10.1016/j.vibspec.2005.07.011ISI: 000235560100011Scopus ID: 2-s2.0-31744443754Local ID: 74648780-ddeb-11db-9cae-000ea68e967bOAI: oai:DiVA.org:ltu-8744DiVA, id: diva2:981682
Note
Validerad; 2006; 20070329 (pafi)Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2018-07-10Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full textScopus

Authority records

Holmgren, Allan

Search in DiVA

By author/editor
Holmgren, Allan
By organisation
Sustainable Process Engineering
In the same journal
Vibrational Spectroscopy
Physical Chemistry

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 33 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