부산대학교 도서관

Recently, we have shown that laser-induced particle formation is a promising method for the separation and recovery of platinum group metals (PGMs) from waste solution. It is known that Pd, a member of PGMs, exists in the form of the PdCl42- anion in solution and the photodissociation of the anion is theoretically discussed in this work. Two photodissociation pathways are considered: single Cl loss from PdCl42-; double Cl loss from PdCl42-. First, MRCI calculations for PdCl42- reveal that the excited 11Eu and 21Eu states, both of which are degenerate, have large transition dipole moment with the ground electronic state. Next, potential energy curves (PECs) for single Cl loss and potential energy surfaces (PESs) for double Cl loss are calculated; it is found, as a result, that single Cl loss, PdCl42- → PdCl3-+Cl-, may be spontaneous on the PECs correlating with the 11Eu and 21Eu states and double Cl loss, PdCl42- → PdCl2- + Cl + Cl may also be spontaneous on-the PESs correlating with the 11Eu state. [ABSTRACT FROM AUTHOR]