The hyperfine structure in the rotational spectra of D217O and HD17O: Confirmation of the absolute nuclear magnetic shielding scale for oxygen

摘要: Guided by theoretical predictions, the hyperfine structures of rotational spectra mono- and bideuterated-water containing 17O have been experimentally investigated. To reach sub-Doppler resolution, required to resolve structure due deuterium quadrupole coupling as well spin-rotation (SR) dipolar spin-spin couplings, Lamb-dip technique has employed. The experimental investigation in particular, spectral analysis supported high-level quantum-chemical computations employing coupled-cluster techniques and, for first time, a complete determination parameters involved was possible. determined constants D217O HD17O were used derive paramagnetic part corresponding nuclear magnetic shielding constants. Together with computed diamagnetic contributions vibrational temperature corrections, latter employed confirm t...