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MOLECULAR CONFORMATION OF THE AMINO ACID DERIVATIVE ALANINAMIDE

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/19086

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dc.creator Lavrich, R. J. en_US
dc.creator Farrar, Jabari O. en_US
dc.creator Tubergen, Michael J. en_US
dc.date.accessioned 2006-06-15T19:09:08Z
dc.date.available 2006-06-15T19:09:08Z
dc.date.issued 1998 en_US
dc.identifier 1998-TH-05 en_US
dc.identifier.uri http://hdl.handle.net/1811/19086
dc.description Author Institution: Department of Chemistry, Kent State University en_US
dc.description.abstract We report the rotational spectra of alaninamide and two $^{15}N$ labeled isotopomers. The derived rotational constants of the most abundant isotopomer are $A = 4931.924 (2) MHz, B = 3114.594 (2) MHz$, and $C = 2297.252 (2) MHz$. Fifty-two hyperfine components associated with 3 a-type and 3 b-type transitions were fit yielding quadrupole coupling constants of $\chi_{aa} = 1.603 (4) MHz$ and $\chi_{bb} = 0.643 (6) MHz$ for the amino nitrogen and $\chi_{aa} = 1.379 (5) MHz$ and $\chi_{bb} = 0.570 (6) MHz$ for the amide nitrogen. A preliminary Kraitchman calculation indicates a nitrogen-to-nitrogen distance of 2.803 {\AA}, suggesting that the experimentally determined conformer contains an intramolecular hydrgoen bond from the amide nitrogen to the amino nitrogen. en_US
dc.format.extent 87953 bytes
dc.format.mimetype image/jpeg
dc.language.iso English en_US
dc.title MOLECULAR CONFORMATION OF THE AMINO ACID DERIVATIVE ALANINAMIDE en_US
dc.type article en_US