ROTATIONAL SPECTRUM AND STRUCTURE OF A VAN DER WAALS COMPLEX BETWEEN AN AMINO ACID DERIVATIVE AND WATER: ALANINAMIDE - $H_{2}O$
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Date
1999
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Ohio State University
Abstract
The structure of the amino acid derivative alaninamide was determined by substitution of all the heavy atoms except oxygen. Assignment of the rotational spectrum of the 1:1 complex of alaninamide and water yielded rotational constants for the most abundant isotopomer: $A = 4789 (3) MHz, B = 1271.872 (8) MHz$, and $C = 1111.394(8)$ MHz. Preliminary data from two $^{15}N$ isotopomers indicate that the conformation of the alaninamide monomer is relatively unchanged upon complexation and that the water complex has a cyclic hydrogen bonded network, in which the water interacts with the carbonyl oxygen and an amide hydrogen.
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Author Institution: Department of Chemistry, Kent State University