Infrared spectra and tunneling dynamics of the N{sub 2}–D{sub 2}O and OC–D{sub 2}O complexes in the v{sub 2} bend region of D{sub 2}O
- College of Physical Science and Technology, Central China Normal University, Wuhan 430079 (China)
The rovibrational spectra of the N{sub 2}–D{sub 2}O and OC–D{sub 2}O complexes in the v{sub 2} bend region of D{sub 2}O have been measured in a supersonic slit jet expansion using a rapid-scan tunable diode laser spectrometer. Both a-type and b-type transitions were observed for these two complexes. All transitions are doubled, due to the heavy water tunneling within the complexes. Assuming the tunneling splittings are the same in K{sub a} = 0 and K{sub a} = 1, the band origins, all three rotational and several distortion constants of each tunneling state were determined for N{sub 2}–D{sub 2}O in the ground and excited vibrational states, and for OC–D{sub 2}O in the excited vibrational state, respectively. The averaged band origin of OC–D{sub 2}O is blueshifted by 2.241 cm{sup −1} from that of the v{sub 2} band of the D{sub 2}O monomer, compared with 1.247 cm{sup −1} for N{sub 2}–D{sub 2}O. The tunneling splitting of N{sub 2}–D{sub 2}O in the ground state is 0.16359(28) cm{sup −1}, which is about five times that of OC–D{sub 2}O. The tunneling splittings decrease by about 26% for N{sub 2}–D{sub 2}O and 23% for OC–D{sub 2}O, respectively, upon excitation of the D{sub 2}O bending vibration, indicating an increase of the tunneling barrier in the excited vibrational state. The tunneling splittings are found to have a strong dependence on intramolecular vibrational excitation as well as a weak dependence on quantum number K{sub a}.
- OSTI ID:
- 22251291
- Journal Information:
- Journal of Chemical Physics, Vol. 139, Issue 21; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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