VIBRATIONAL PREDISSOCIATION IN D2HF
Calculations are presented of linewidths for the vibrational predissociation of D2 HF induced by excitation of the HF stretching vibration in the weakly bound molecule. A potential energy surface based on ab initio computations with the correct leading multipole terms has been used. The vibrational...
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| Format: | Journal article |
| Language: | English |
| Published: |
1992
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| Summary: | Calculations are presented of linewidths for the vibrational predissociation of D2 HF induced by excitation of the HF stretching vibration in the weakly bound molecule. A potential energy surface based on ab initio computations with the correct leading multipole terms has been used. The vibrational predissociation linewidths are obtained from accurate close-coupling computations of scattering resonances for the D2 + HF collision. The calculated linewidths are in excellent agreement with those obtained from infrared absorption experiments and confirm that the mechanism for vibrational predissociation is D2HF(v = 1) → D2(v1 = 1) + HF(v2 = 0). It is found that the vibrational predissociation linewidths associated with the Σ vibration in para-D2HF are about five times narrower than those for the vibration. This implies that it should be possible to observe the D2HF(v = 0, Π→v = 1,Σ) transition in infrared spectroscopy measurements. The rotational distributions of the D2 + HF products of the vibrational predissociation process are predicted and should be observable. © 1991 American institute of Physics. |
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