Electronic Structure of two catalytically important hafnocenes

Igor Novak, Branka Kovac

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)
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The electronic structures of trichloro[(1,2,3,3a,7a-')-1H-inden-1-yl]-hafnium and bis(cyclopentadienyl)hafnium dichloride have been investigated by HeI and HeII UV photoelectron spectroscopy and DFT/OVGF calculations. The chlorine lone pair ionization energies are reduced considerably on going from HfCl4 to metallocene hafnium chlorides. The electronic structure results have been related to the mechanism of olefin polymerization catalysed by hafnocenes.
Original languageEnglish
Pages (from-to)195-198
Number of pages4
JournalChemical Physics Letters
Issue number4-6
Publication statusPublished - 08 Aug 2011

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