15min:
MOLECULAR CONFORMATION OF THE AMINO ACID DERIVATIVE ALANINAMIDE.

RICHARD J. LAVRICH, JABARI O. FARRAR AND MICHAEL J. TUBERGEN, Department of Chemistry, Kent State University, Kent, OH 44242.

We report the rotational spectra of alaninamide and two 15N 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 \chiaa = 1.603 (4) MHz and \chibb = 0.643 (6) MHz for the amino nitrogen and \chiaa = 1.379 (5) MHz and \chibb = 0.570 (6) MHz for the amide nitrogen. A preliminary Kraitchman calculation indicates a nitrogen-to-nitrogen distance of 2.803 Å, suggesting that the experimentally determined conformer contains an intramolecular hydrgoen bond from the amide nitrogen to the amino nitrogen.