Electronic structure of Re2Cl82-

Albert P. Mortola, Jules W. Moskowitz, Notker Rosch, Charles D. Cowman, Harry B. Gray

Research output: Contribution to journalArticlepeer-review

72 Scopus citations

Abstract

The multiple scattering Xα method has been used to calculate the ordering of both occupied and unoccupied one-electron energy states of Re3Cl82-. Single crystal polarized electronic spectra of [(n-C4H9)4N]2[Re2Cl8] have been measured at 5 K. Principal band maxima are observed at 14 180 (z), 30870 (xy), and 39 215 (z) cm-1. The calculation, observed polarizations, and a comparison of band positions in Re2Cl82- and Re2Br82- suggest the following transition assignments for the former complex: 14 180 cm-1, b2gδ → b1uδ*; 30 870 cm-1, eg → b1uδ*; 39 215 cm-1, euπ → egπ*.

Original languageEnglish
Pages (from-to)283-286
Number of pages4
JournalChemical Physics Letters
Volume32
Issue number2
DOIs
StatePublished - 15 Apr 1975
Externally publishedYes

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