Microwave spectrum and hydrogen bonding in 2-dimethylaminoethanol |
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Authors: | RE Penn JA Birkenmeier |
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Institution: | Department of Chemistry, The University of Missouri-St. Louis, St. Louis, Missouri 63121 USA |
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Abstract: | The microwave spectrum of the normal species of 2-dimethylaminoethanol gives rotational constants (MHz) A = 5814.0(2), B = 2214.54(2), and C = 2037.96(2) and a dipole moment of 2.56 D, with a, b, and c components (D) of 2.27(2), 0.3(1), and 1.16(5), respectively, consistent with a gauche OCCN configuration, and an OH?N type hydrogen bond, facilitated by a central CN configuration distorted approximately 23° from “staggered.” The hydroxy d1 species rotational constants (MHz) A = 5688.95(38), B = 2190.17(4), and C = 2028.00(4) are consistent with either the hydroxyl group structure and COH = 100.5° or a structurally normal hydroxyl group with an approximate 0.01 ÅrO?N shrinkage upon deuteration. |
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