MOLECULAR CONFORMATION OF THE AMINO ACID DERIVATIVE ALANINAMIDE

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 Title: MOLECULAR CONFORMATION OF THE AMINO ACID DERIVATIVE ALANINAMIDE Creators: Lavrich, R. J.; Farrar, Jabari O.; Tubergen, Michael J. Issue Date: 1998 Publisher: Ohio State University 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. Description: Author Institution: Department of Chemistry, Kent State University URI: http://hdl.handle.net/1811/19086 Other Identifiers: 1998-TH-05