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The inversion-torsion motion in vinylamine

1987; Elsevier BV; Volume: 124; Issue: 1 Linguagem: Inglês

10.1016/0022-2852(87)90117-2

1096-083X

Ronald D. Brown, Peter D. Godfrey, B. Kleibömer,

DNA and Nucleic Acid Chemistry

A combined semirigid-bender analysis of vibrational satellite shifts in the microwave spectrum and previously published infrared data has resolved the ambiguity of the inversion potential in vinylamine. The molecule is nonplanar in its equilibrium configuration. In the motion between the two potential minima of the amino group, the hydrogens undergo an inversion-torsion motion during which the syn-H is always closer to the CCN plane than is the anti-H. The barrier height is 390 cm−1 and the potential minima are at bending angles of 46.4° from the plane. The large-amplitude-motion treatment used in the present study predicts the hitherto unobserved 1+-0− band to lie at 340 nm−1 and 269 cm−1 in normal and dideutero-vinylamine, respectively.