A semi-empirical study of the thermodynamics of the Diels-Alder reactions of N, P, O, and S substituted five membered heterocyclic aromatic rings with acrolein /

Musslimani, Tarek, H.; Youngstown State University. Dept. of Chemistry.

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dc.contributor.author	Musslimani, Tarek, H.	en_US
dc.contributor.author	Youngstown State University. Dept. of Chemistry.	en_US
dc.date.accessioned	2011-01-31T14:20:23Z
dc.date.accessioned	2019-09-08T02:34:50Z
dc.date.available	2011-01-31T14:20:23Z
dc.date.available	2019-09-08T02:34:50Z
dc.date.created	2004	en_US
dc.date.issued	2004	en_US
dc.identifier.other	b19606199	en_US
dc.identifier.uri	http://jupiter.ysu.edu/record=b1960619	en_US
dc.identifier.uri	http://hdl.handle.net/1989/6322
dc.description	xii, 59 leaves : ill. ; 29 cm.	en_US
dc.description	Thesis (M.S.)--Youngstown State University, 2004.	en_US
dc.description	Includes bibliographical references (leaves 58-59).	en_US
dc.description.abstract	A semi-empirical study of the effect of substituent on the HOMO-LUMO energies of the 3,4 disubstituted 5-membered heterocyclic aromatic compounds, on the equilibrium constants of the Diels-Alder reaction of N, P, 0 and S substituted heterocyclic 5-membered aromatic rings with acrolein, and on the enthalpy change of the reactions, gave results in accordance with the familiar Diels-Alder reaction. A linear correlation was found between E HOMO and ELUMO of the diene and (Jp and (Jm of the Hammett equation. The log of the equilibrium constant calculated from the computed enthalpy and entropy of the reactions at 298 K, and the reaction enthalpy itself, also correlated with (Jp and (Jm, as expected for linear free energy relationships.	en_US
dc.description.statementofresponsibility	by Tarek H. Musslimani.	en_US
dc.language.iso	en_US	en_US
dc.relation.ispartofseries	Master's Theses no. 0805	en_US
dc.subject.classification	Master's Theses no. 0805	en_US
dc.subject.lcsh	Ring formation (Chemistry)--Diels-Alder reaction.	en_US
dc.subject.lcsh	Organic compounds--Synthesis.	en_US
dc.subject.lcsh	Chemical reactions.	en_US
dc.title	A semi-empirical study of the thermodynamics of the Diels-Alder reactions of N, P, O, and S substituted five membered heterocyclic aromatic rings with acrolein /	en_US
dc.type	Thesis	en_US

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