The interpretation of the neutron inelastic scattering and infrared absorption spectra of chromous acid using the double Morse potential model

Autor:	G. N. Robertson, M. C. Lawrence
Rok vydání:	1987
Předmět:	Deuterium Chemistry Neutron diffraction General Physics and Astronomy Infrared spectroscopy Neutron Physical and Theoretical Chemistry Atomic physics Inelastic scattering Spectral line Inelastic neutron scattering Morse potential
Zdroj:	The Journal of Chemical Physics. 87:3375-3380
ISSN:	1089-7690 0021-9606
DOI:	10.1063/1.452980
Popis:	The neutron inelastic scattering and infrared absorption spectra of chromous acid are analyzed using a double Morse potential model. The proton tunneling frequency is assigned to a peak at 548 cm−1 and the ‖0〉→‖2〉 transition to the band at 2050 cm−1 in the neutron inelastic scattering spectrum. These assignments differ from those (viz. ‖0〉→‖1〉=226 cm−1, ‖1〉→‖2〉=1650 cm−1) made prior to the availability of the neutron inelastic scattering data. The proton tunneling frequency is thus assigned to a peak of considerably higher frequency. The model calculations also explain the infrared absorption spectrum of deuterated chromous acid and resolve previous discrepancies in the crystallographic data for chromous acid.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::8186b814bfa22df70c3ebdca28f1f3cd https://doi.org/10.1063/1.452980 Zobrazit plný text záznamu