Experimental and ab initio study of the molybdenum K and L edge excitation in Mo(CO)6 and MoF6

Autor:	Florence Guillot, Adriana Lisini, Michel Tronc, Christine Dézarnaud-Dandine, Piero Decleva, Giovanna Fronzoni
Přispěvatelé:	F., Guillot, C., DEZARNAUD DANDINE, M., Tronc, A., Lisini, Decleva, Pietro, Fronzoni, Giovanna
Rok vydání:	1995
Předmět:	Absorption spectroscopy Chemistry Oscillator strength Ab initio Analytical chemistry General Physics and Astronomy chemistry.chemical_element Theoretical chemistry Spectral line Ab initio quantum chemistry methods Molybdenum Ionization Physical and Theoretical Chemistry Atomic physics Excitation
Zdroj:	Chemical Physics. 191:289-302
ISSN:	0301-0104
DOI:	10.1016/0301-0104(94)00338-b
Popis:	The L inner-shell absorption spectra of molybdenum in gas phase Mo(CO)6 and MoF6 have been obtained at room temperature with a direct ion-yield technique at the LURE Super ACO storage ring in Orsay. Transitions from the 2 p 3 2 and 2 p 1 2 initial states, respectively, have pronounced “white line” features assigned to the allowed 2p → 4d transitions and as expected the Mo 2p spectra are found to be very sensitive to the nature of the ligands and their bonding. Most of the intensity in the Mo 2s excitation spectra goes above the ionization threshold. Ab initio calculations employing the 1h-1p CI scheme, performed for the K and L excitation of molubdenum, permit to assign spectral features below the ionization thresholds and to deduce from the oscillator strength the metal character of the vacant orbital.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3d9a564defd1ca0882a7cf6db90adf9e https://doi.org/10.1016/0301-0104(94)00338-b Zobrazit plný text záznamu Full Text from ScienceDirect