Abstract:A band at ca. 150 cm -1 in the far infrared spectrum of diketopiperazine (DKP) is assigned to a ring puckering vibration. The multiplet structure reported for this band in the low temperature (77 K) far IR spectrum can be interpreted if the vibration is assumed to have quartic character. By means of RayleighSchrödinger perturbation theory, a new vibrational selection rule, n = 1, 3, has been derived for mixed quartic-quadratic vibrations in the near harmonic region for the case of zero electrical anharmonic… Show more
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