uu.seUppsala University Publications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • 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
Theoretical studies of the chemiluminescence reactions; luminol
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - BMC.
2015 (English)Independent thesis Basic level (degree of Bachelor), 15 credits / 22,5 HE creditsStudent thesis
Abstract [en]

The vast majority of chemical reactions occurs only in the ground state, however photochemical reactions like chemiluminescence take place in ground and excited states. In almost all chemiluminescence processes oxygen-oxygen bond breakage is involved. But, there is no general reason to explain why these processes occur via an oxygen-oxygen cleavage. These types of phenomena are usually highly exothermic. Computational chemistry has risen as a powerful tool to characterize and analyze chemical phenomena. Quantum mechanics are utilized to explain chemical observations. Applying these equations, one can compute the chemical properties of any system in any state. In the present study, three chemiluminescence reactions derived from luminol are modeled; nitrogen based, oxygen based and dianion nitrogen based models. The key factor of oxygen-oxygen bond rupture is discussed and rationalized. The electronic potential energy surfaces of the three compounds are computed at complete active space self-consistent field theory. Peroxide compounds compared to the dinitrogenated  compounds show a lower activation energy and they are more exothermic. This study allows us to rationalize why luminol needs to be presented in a basic medium and oxidized in order to produce chemiluminescence.

Place, publisher, year, edition, pages
2015. , 28 p.
Series
UPKEM C, 62
Keyword [en]
theoretical chemistry, luminol, chemiluminescence
National Category
Theoretical Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-255902OAI: oai:DiVA.org:uu-255902DiVA: diva2:823949
Subject / course
Chemistry
Educational program
Bachelor Programme in Chemistry
Supervisors
Examiners
Available from: 2015-06-22 Created: 2015-06-19 Last updated: 2015-06-22Bibliographically approved

Open Access in DiVA

fulltext(719 kB)376 downloads
File information
File name FULLTEXT01.pdfFile size 719 kBChecksum SHA-512
74fde3f592d04366b83a9c3acd4406348d90047ce414dfa833571a12688f4049b80f3b351f9298ded7a7caaa724543c4fba1e93d8ad51a43573272c73553e018
Type fulltextMimetype application/pdf

By organisation
Department of Chemistry - BMC
Theoretical Chemistry

Search outside of DiVA

GoogleGoogle Scholar
Total: 376 downloads
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

urn-nbn

Altmetric score

urn-nbn
Total: 431 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • 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