Combination of experimental and computational chemistry in the synthesis of new azahetrocycles

Diederica Claeys UGent (2009)
abstract
This PhD was planned as a combination of experimental and computational chemistry. The goal was to synthesize new azaheterocyclic compounds with an interesting potential for biological activity starting from pyroglutamates and α-aminophosphonates, as the SynBioC research group has a lot of experience with these compounds, and to investigate different ways of conformational restriction via cyclization. The use of the computational methods to explain observed isomer ratios, stereoselectivities and reactivities, is supposed to bring insights that improve the chemical intuition. Meanwhile the applicability of the methods is evaluated and its use in a predictive way for similar reactions, can lead to the final goal of computational chemistry, i.e. to have predictive power.
author
promoter
UGent and UGent
organization
alternative title
Combinatie van experimentele en computationele chemie in de synthese van nieuwe azahetrocyclische verbindingen
year
type
dissertation (monograph)
subject
pages
IX, 262 pages
publisher
Ghent University. Faculty of Bioscience Engineering
place of publication
Ghent, Belgium
defense location
Gent : Faculteit Bio-ingenieurswetenschappen
defense date
2009-11-20 15:00
ISBN
9789059893320
language
English
UGent publication?
yes
classification
D1
dissertation contains in part copyrighted material
I have transferred the copyright for this publication to the publisher
id
786710
handle
http://hdl.handle.net/1854/LU-786710
alternative location
http://lib.ugent.be/fulltxt/RUG01/001/367/059/RUG01-001367059_2010_0001_AC.pdf
date created
2009-11-23 10:09:06
date last changed
2009-12-14 15:27:31
@phdthesis{786710,
abstract     = {This PhD was planned as a combination of experimental and computational chemistry. The goal was to synthesize new azaheterocyclic compounds with an interesting potential for biological activity starting from pyroglutamates and \ensuremath{\alpha}-aminophosphonates, as the SynBioC research group has a lot of experience with these compounds, and to investigate different ways of conformational restriction via cyclization. The use of the computational methods to explain observed isomer ratios, stereoselectivities and reactivities, is supposed to bring insights that improve the chemical intuition. Meanwhile the applicability of the methods is evaluated and its use in a predictive way for similar reactions, can lead to the final goal of computational chemistry, i.e. to have predictive power.},
author       = {Claeys, Diederica},
isbn         = {9789059893320},
language     = {eng},
pages        = {IX, 262},
publisher    = {Ghent University. Faculty of Bioscience Engineering},
school       = {Ghent University},
title        = {Combination of experimental and computational chemistry in the synthesis of new azahetrocycles},
url          = {http://lib.ugent.be/fulltxt/RUG01/001/367/059/RUG01-001367059\_2010\_0001\_AC.pdf},
year         = {2009},
}


Chicago
Claeys, Diederica. 2009. “Combination of Experimental and Computational Chemistry in the Synthesis of New Azahetrocycles”. Ghent, Belgium: Ghent University. Faculty of Bioscience Engineering.
APA
Claeys, Diederica. (2009). Combination of experimental and computational chemistry in the synthesis of new azahetrocycles. Ghent University. Faculty of Bioscience Engineering, Ghent, Belgium.
Vancouver
1.
Claeys D. Combination of experimental and computational chemistry in the synthesis of new azahetrocycles. [Ghent, Belgium]: Ghent University. Faculty of Bioscience Engineering; 2009.
MLA
Claeys, Diederica. “Combination of Experimental and Computational Chemistry in the Synthesis of New Azahetrocycles.” 2009 : n. pag. Print.