Abstract
A simple theory of asymmetric inverter has been developed in a proper approximation for an interpretation of the inversion splittings observed in the microwave and infrared spectra of CH 3NHD. It has been shown that there is an appreciable coupling between the inversion and the internal rotation in the CH 3NHD molecule, and the mode of coupling is somewhat different from that in the CH 3NH 2 or CH 3ND 2 with a symmetric inverter. On the basis of this difference, information on the inversion path in the CH 3NHD molecule has been obtained. A hypothetical inversion splitting when the coupling is absent is estimated to be 0.34 cm −1 for the vibrational ground state and 10.0 cm −1 for the first excited state of the amino-wagging vibration (at 688.2 cm −1). From these values, the height of the potential barrier for the inversion has been estimated to be 1765 cm −1.
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