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
Spectroscopical and electron diffraction studies of some unsaturated chlorohydrocarbons
Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry, Physical Chemistry.
1985 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

This thesis deals with structural properties of unsaturated chlorhydrocarbons of general formulas C^H^Cl, C^H^Cl and as studied by microwave spectroscopy, electron diffraction and vibrational spectroscopic methods. The two former methods both give values of molecular structure parameters in gas phase, but due to different averages of the thermal motion the structures arrived at are not comparable. The link between the different structures is provided for by a reliable force field, derived from the observed fundamental vibrational energy transitions, on which the emphasis of this work lies.

The vibrational spectra of cis- and trans-monochlorobutadiene, cis, cis-, cis.trans- and trans,trans-dichlorobutadiene and of 4-chlorobuten- 3-yne were recorded in the medium and far infrared region and in Raman.

Assignment of the spectra was possible. Band contours of the spectra in the gaseous state as well as Raman polarization data were taken into account. Normal coordinate analyses were carried out with the help of a computer program, in which the estimated force field of the simplified valence type of each molecule, constructed of parameter values from similar molecules, is fitted to the observed frequencies. For the monochlorobutadienes, force fields of 22 diagonal and 8 off-diagonal elements, of which 17 values were kept fixed, succeeded in reproducing the observed fundamental frequencies. For the disubstituted butadienes, force fields of 29 parameters, 7 of which off-diagonal, were employed. Root-mean-square amplitudes of vibration and perpendicular amplitude correction coefficients for subsequent use in the refinement of electron diffraction data were also calculated.

In the chlorobutenyne case, the force field consisted of 27 parameters, 10 off-diagonal elements. The agreement between the observed frequencies and those calculated with the force field was very good.

Place, publisher, year, edition, pages
Stockholm: Stockholm University, 1985. , p. 53
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:su:diva-174513Libris ID: 7608661ISBN: 9171466282 (print)OAI: oai:DiVA.org:su-174513DiVA, id: diva2:1358591
Public defence
1985-02-15, Seminarierummet 3Ö, Arrheniuslaboratoriet, Svante Arrhenius väg 10-12, Stockholm, 10:00
Note

Härtill 8 uppsatser

Available from: 2019-10-08 Created: 2019-10-08 Last updated: 2019-12-17Bibliographically approved

Open Access in DiVA

No full text in DiVA

By organisation
Physical Chemistry
Chemical Sciences

Search outside of DiVA

GoogleGoogle Scholar

isbn
urn-nbn

Altmetric score

isbn
urn-nbn
Total: 4 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