Abstract
We present simulations of the A 2 B 1← X 2 A 1 electronic band systems of CH 2 + and CD 2 + in absorption at 200 K. For each isotopomer we calculate the spectrum over the range from 5000 to 18 000 cm −1 for the purpose of assisting the experimental search of the spectrum in a cooled hollow-cathode discharge. We make use of our previously determined ab initio potential energy surfaces, dipole moment and transition moment surfaces in a calculation that includes the Renner–Teller effect and spin–orbit coupling. To complete the picture we also present simulations of the rotation and rotation–vibration spectra of CD 2 +.
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