The electronic structure of the Pt (CN)2−4 ion

✍ Scribed by L.V. Interrante; R.P. Messmer

• Publisher: Elsevier Science
• Year: 1974
• Tongue: English
• Weight: 423 KB
• Volume: 26
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(74)85402-3

✦ Synopsis

The SCF Xo SW method is used to calculate the ground state electronic structure of the Pt(CN$ ion as well as excitation energies for transitions to various singlet and triplet excited states. The results are found to be in good agreement with experimental optical and photoemission data but indicate a different order of "d-orbital" energy lew:s (dx* _ y* * dxy > dxr,yz + d,*) than has been assumed in previous work. The implications of these findings with regard to the sohd state properties of Pt(CN)$-compleses are discussed.