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Electronic structure and photoabsorption of the Hg+2 dimer ion

✍ Scribed by H.H. Michels; R.H. Hobbs; J.W.D. Connolly


Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
430 KB
Volume
68
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES


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The crystal structure of Hg 2 PCl 2 (I) has been determined based on single crystal diffraction data. I crystallizes in a monoclinic space group I2/m (No. 12, a nonstandard setting), a ‫؍‬ 7.643(6) A s , b ‫؍‬ 7.977(2) A s , c ‫؍‬ 8.539(6) A s , ‫؍‬ 115.23(3)Β°, Z ‫؍‬ 4, R ‫؍‬ 0.0526, wR 2 ‫؍‬ 0.1345

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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