Seven ortho rotational transitions have been recorded for the main isotopic species of water in the mil- limeter- and submillimeter-wave region using the Lamb-dip technique in order to resolve the hyperfine structure due to the hydrogens and to provide accurate hyperfine constants. The experimental determi- nation has been supplemented by high-level quantum-chemical calculations of the hyperfine parameters thereby focusing in particular on a systematic study of the basis-set convergence and on vibrational effects.
G. Cazzoli, C. Puzzarini, M. E. Harding, J. Gauss (2009). The hyperfine structure in the rotational spectrum of water: Lamb-dip technique and quantum-chemical calculations. CHEMICAL PHYSICS LETTERS, 473, 21-25 [10.1016/j.cplett.2009.03.045].
The hyperfine structure in the rotational spectrum of water: Lamb-dip technique and quantum-chemical calculations
CAZZOLI, GABRIELE;PUZZARINI, CRISTINA;
2009
Abstract
Seven ortho rotational transitions have been recorded for the main isotopic species of water in the mil- limeter- and submillimeter-wave region using the Lamb-dip technique in order to resolve the hyperfine structure due to the hydrogens and to provide accurate hyperfine constants. The experimental determi- nation has been supplemented by high-level quantum-chemical calculations of the hyperfine parameters thereby focusing in particular on a systematic study of the basis-set convergence and on vibrational effects.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
