Open Accessv-=SUB=-2-=/SUB=--зависимость вращательных вкладов в эффективный дипольный момент молекулы Н-=SUB=-2-=/SUB=-О и их влияние на уширение и сдвиг линий давлением буферных газов
Author(s) -
В.И. Стариков
Publication year - 2019
Publication title -
žurnal tehničeskoj fiziki
Language(s) - English
Resource type - Journals
eISSN - 1726-748X
pISSN - 0044-4642
DOI - 10.21883/os.2019.08.48029.342-18
Subject(s) - rotational–vibrational spectroscopy , dipole , atomic physics , quantum number , line (geometry) , moment (physics) , transition dipole moment , physics , rotational partition function , rotational transition , molecule , quantum , rotation around a fixed axis , amplitude , stark effect , chemistry , spectral line , quantum mechanics , angular momentum , excited state , geometry , mathematics
The dependence of rotational correction terms of the effective dipole moment of H2O molecule on the vibrational quantum number v2 which corresponds to the large amplitude motion is obtained in the numerical calculations. Different dipole surfaces of H2O molecule as well as different intra-molecular potentials were used. The effect of the rotational corrections on the calculated line broadening and line shifts by Ar, Kr, H2 and He pressure was analyzed. It is shown that this effect is significant for a shifting of pure rotational lines and rovibrational lines for which the difference in rotational quantum number Ka from the initial and final states of the transition greater (or equal) to three.