The absorption spectrum of the H214O radioactive isotopologue of water vapour.

The predicted rotation-vibration absorption spectrum of the radioactive isotopically substituted water molecule, H214O, is presented. Variational nuclear-motion calculations are performed using the DVR3D software package based on the use of a high-precision potential energy function and an accurate dipole moment surface. Line centres, intensity and Einstein coefficients are calculated, and air pressure broadening coefficients are estimated. The calculation was carried out over a wide wavenumber range from 0 to 25000 cm $ {}^{-1} $ − 1 and total angular momentum up to J = 20. Isotopologue extrapolation rules based on experimental data on the energy levels of the stable isotopologues H216O, H $ {}_{2}^{16} $ 2 16 O H217O and H218O were also used to improve the predicted line positions. Spectral ranges best suited to the detection of H214O are identified. [ABSTRACT FROM AUTHOR]