Document Detail


The role of tautomers in the UV absorption of urocanic acid.
MedLine Citation:
PMID:  21279239     Owner:  NLM     Status:  Publisher    
Abstract/OtherAbstract:
Tautomeric effects in the UV-absorption of trans-urocanic acid in the gas phase are investigated by means of quantum chemical calculations of sixteen tautomers at different levels, followed by absorption cross section simulations. It is shown that several trans tautomers give significant contributions to the total spectrum and that cis tautomers should not contribute to the spectrum at room temperature. The spectra of tautomers protonated at the N1 site of the imidazole ring are strongly red shifted in comparison to the spectra of tautomers protonated at the N3 site. As a consequence, excitation of the first absorption band at different wavelengths produces very different tautomeric populations. This effect helps to explain specific features observed in dispersion emission spectroscopy as well as the anomalous photophysics of urocanic acid.
Authors:
Mario Barbatti
Related Documents :
16430509 - Enhanced biodegradation of diesel oil by a newly identified rhodococcus baikonurensis e...
15539219 - Dietary lipid effects on microsome fatty acid composition of liver and brain, on liver ...
12848499 - Formation of modified fatty acids and oxyphytosterols during refining of low erucic aci...
20439099 - Analysis of qtls for erucic acid and oil content in seeds on a8 chromosome and the link...
427179 - New conjugated hydroxydienoic fatty acids and acetotriacylglycerols from securidaca lon...
14667059 - Characterisation of castor oil by on-line and off-line non-aqueous reverse-phase high-p...
2616099 - Analogues of alpha-aminoisobutyric acid with various alkyl groups as potential tumour i...
10552809 - Release of deuterated nonenal during beer aging from labeled precursors synthesized in ...
4000399 - Phospholipids of normal and experimentally injured spinal cord of the miniature pig.
Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2011-1-31
Journal Detail:
Title:  Physical chemistry chemical physics : PCCP     Volume:  -     ISSN:  1463-9084     ISO Abbreviation:  -     Publication Date:  2011 Jan 
Date Detail:
Created Date:  2011-1-31     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  100888160     Medline TA:  Phys Chem Chem Phys     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
Affiliation:
Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 Mülheim an der Ruhr, Germany. barbatti@kofo.mpg.de.
Export Citation:
APA/MLA Format     Download EndNote     Download BibTex
MeSH Terms
Descriptor/Qualifier:

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine


Previous Document:  A highly ordered mesostructured material containing regularly distributed phenols: preparation and c...
Next Document:  Nanoscale changes induce microscale effects in Turing patterns.