Electronic structure of two catalytically important hafnocenes (CROSBI ID 173501)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Podaci o odgovornosti
Novak, Igor ; Kovač, Branka
engleski
Electronic structure of two catalytically important hafnocenes
The electronic structures of trichloro[(1, 2, 3, 3a, 7a-g)-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 catalyzed by hafnocenes.
electron spectroscopy ; electronic structure ; hafnocenes
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Podaci o izdanju
512 (4-6)
2011.
195-198
objavljeno
0009-2614
1873-4448
10.1016/j.cplett.2011.07.058