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Title:Theoretical Studies of the Solvation, Dynamics, and Photochemistry of Ethylene, Retinal Protonated Schiff Base, Oligocellulose, and Gd(III) Clusters
Author(s):Owens, Jane Michelle
Doctoral Committee Chair(s):Todd Martinez; Petillo, Peter A.
Department / Program:Chemistry
Discipline:Chemistry
Degree Granting Institution:University of Illinois at Urbana-Champaign
Degree:Ph.D.
Genre:Dissertation
Subject(s):Chemistry, Physical
Abstract:The solution dynamics of an anomerically pure series of cellulose oligomers have been studied by 13C NMR relaxation techniques and compared to molecular dynamics (MD) simulations. We found evidence of anisotropic motion across the series, with experimentally determined order parameters (S 2) ranging from 0.30 to 0.52 and computationally determined S 2 values of 0.40 to 0.73. Together experiment and simulation indicate that each glycosidic linkage becomes much more rigid as the oligosaccharide increases in length.
Issue Date:2004
Type:Text
Language:English
Description:176 p.
Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2004.
URI:http://hdl.handle.net/2142/84170
Other Identifier(s):(MiAaPQ)AAI3160937
Date Available in IDEALS:2015-09-25
Date Deposited:2004


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