Issue 11, 1998

Synthesis, emission and molecular orbital studies of luminescent zirconium thiolate complexes. Crystal structure of [Zr(η5-C5Me5)2(SBun)2]

Abstract

A series of luminescent zirconium thiolate complexes [Zr(η5-C5Me5)2(ER)2] (E = S, R = Bun, C6H4But-p, C6H4Cl-p or Ph; E = Se, R = Ph) have been synthesized by the reaction of [Zr(η5-C5Me5)2Cl2] with NaER, and shown to exhibit rich luminescence behavior. The crystal structure of [Zr(η5-C5Me5)2(SBun)2] has been determined. Fenske–Hall molecular orbital calculations on the zirconium thiolate complexes revealed a thiolate-based HOMO and a LUMO that is mainly composed of zirconium d character.

Supplementary files

Article information

Article type
Paper

J. Chem. Soc., Dalton Trans., 1998, 1819-1824

Synthesis, emission and molecular orbital studies of luminescent zirconium thiolate complexes. Crystal structure of [Zr(η5-C5Me5)2(SBun)2]

V. Wing-Wah Yam, G. Qi and K. Cheung, J. Chem. Soc., Dalton Trans., 1998, 1819 DOI: 10.1039/A800122G

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