Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5375787 | Chemical Physics | 2008 | 6 Pages |
Several clusters of PO43- and P2O74- were studied in different chemical environment by measuring the Kβ1,3, Kβx and KβⲠlines from P-Kβ emission spectrum. The Kβ spectrum structures were analyzed from its relation with its chemical environment. In this paper, the cation influence and the cation substitution with H on satellite KβⲠline parameters were also studied. It was found that this line allows the light ligand atom to be identified and also the number of H bonds with the PO43- cluster be characterized. Besides cation influence on the P-Kβ spectrum, it can be shown that this influence is smaller than the ligand atom and cation-H substitution. Theoretical spectra were obtained by using the DV-Xα method in order to compare it with the experimental data and to interpret the Kβ line structure in terms of molecular orbital theory.