Document Detail


Barbituric and thiobarbituric acids: a conformational and spectroscopic study.
MedLine Citation:
PMID:  12509155     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
A conformational study on Barbituric (BA) and Thiobarbituric (TBA) acids was performed at ab initio MP2/6-31G** level on the neutral, protonated, mono- and di-anionic forms. Acid-base equilibria were studied by comparing the electronic transitions evaluated for the most stable conformations and the experimental spectra at different pH values. The electronic transitions were obtained through the ZINDO approach.
Authors:
Felice Zuccarello; Giuseppe Buemi; Concetta Gandolfo; Annalinda Contino
Related Documents :
9486425 - Efficient modelling protocols for oligosaccharides: from vacuum to solvent.
11453685 - Flexibility and extensibility in the titin molecule: analysis of electron microscope data.
8590415 - A reevaluation of the thermodynamics of growth of saccharomyces cerevisiae on glucose, ...
24610515 - Measurement of absolute fluorescence quantum yield of basic fuchsin solution using a du...
6413785 - A molecular orbital treatment on the reactivity of some polycyclic aromatic hydrocarbon...
24322985 - Mechanical and electronic properties of pristine and ni-doped si, ge, and sn sheets.
Publication Detail:
Type:  Journal Article; Research Support, Non-U.S. Gov't    
Journal Detail:
Title:  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy     Volume:  59     ISSN:  1386-1425     ISO Abbreviation:  Spectrochim Acta A Mol Biomol Spectrosc     Publication Date:  2003 Jan 
Date Detail:
Created Date:  2003-01-01     Completed Date:  2003-07-21     Revised Date:  2006-11-15    
Medline Journal Info:
Nlm Unique ID:  9602533     Medline TA:  Spectrochim Acta A Mol Biomol Spectrosc     Country:  England    
Other Details:
Languages:  eng     Pagination:  139-51     Citation Subset:  IM    
Affiliation:
Dipartimento di Scienze Chimiche, Università di Catania, Viale Andrea Doria 6, 95125 Catania, Italy. fzuccarello@dipchi.unict.it
Export Citation:
APA/MLA Format     Download EndNote     Download BibTex
MeSH Terms
Descriptor/Qualifier:
Barbiturates / analysis*
Hydrogen-Ion Concentration
Models, Chemical
Spectrophotometry / methods*
Thiobarbiturates / analysis*
Ultraviolet Rays
Chemical
Reg. No./Substance:
0/Barbiturates; 0/Thiobarbiturates; 504-17-6/thiobarbituric acid; 67-52-7/barbituric acid

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


Previous Document:  High resolution electronic absorption spectra of anisole and phenoxyl radical.
Next Document:  Rayleigh light scattering study on the supramolecular interactions of beta-cyclodextrin derivatives ...