Hydrogen bonding and conformational equilibrium of 2-Methylaminoethanol (cas 109-83-1) by microwave spectroscopy

Add time:08/20/2019    Source:sciencedirect.com

From its microwave spectrum, 2-Methylaminoethanol (cas 109-83-1) is found to exist in two rotameric forms, each having an intramolecular hydrogen bond of the type OH⋯N and a gauche OCCN configuration. The lower energy form (GT) has rotational constants (MHz) A = 12123.35 (31), B = 2653.774 (15), and C = 2400.756 (13), consistent with a CCNC configuration distorted ∼7° from the trans form. The dipole moment of the GT rotamer and its a, b, and c components are 2.756 (13), 2.272 (8), 1.336 (20), and 0.808 (18) D, respectively. The higher energy form (GG) has rotational constants (MHz) A = 8985.12 (31), B = 3076.388 (14), and C = 2868.664 (15), consistent with a CCNC configuration distorted ∼21° from the “staggered” gauche form (toward the trans form). The dipole moment of this rotamer and its a, b, and c components are 2.864 (11), 2.610 (11), 1.132 (11), and 0.331 (34) D, respectively. Relative intensity measurements give a ground state GG-GT energy difference of 0.46 (7) kcal mole−1.

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