217966-07-9Relevant academic research and scientific papers
Synthesis, emission, and molecular orbital studies of luminescent hafnium thiolate complexes. Crystal structures of (η5-C5Me5)2Hf(SR)2 (R = nBu, C6H5, C6H4OMe-p)
Yam, Vivian Wing-Wah,Qi, Gui-Zhong,Cheung, Kung-Kai
, p. 5448 - 5453 (1998)
A series of luminescent hafnium thiolate complexes (η5C5Me5)2Hf(SR)2 (R = nBu, C6H5, C6H4OMe-p, C6H4tBu-p) have been synthesized by the reaction of (η5-C5Me5)2HfCl2 with LiSR and shown to exhibit rich luminescence behavior. The crystal structures of (η5-C5Me5)2Hf-(S nBu)2, (η5-C5Me5)2Hf(SC 6H5)2, and (η5-C5Me5)2Hf(SC 6H4OMe-p)2 have been determined. Fenske-Hall molecular orbital calculations on the hafnium thiolate complexes reveal a thiolate-based HOMO and a LUMO that is mainly composed of hafnium d character.
