Journal
RUSSIAN CHEMICAL BULLETIN
Volume 57, Issue 6, Pages 1166-1171Publisher
SPRINGER
DOI: 10.1007/s11172-008-0145-1
Keywords
organometallic pi-complexes; zirconium complexes; polymerization catalysts; polymerization; ligand-to-metal charge transfer; luminescence in solution; dipole moment; quantum chemical DFT calculations
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Funding
- Russian Academy of Sciences
- Russian Foundation for Basic Research [07-03-00223]
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Electric dipole moments of a highly emissive metallocene precatalyst, namely, the Zr-IV pi-complex in the ground and triplet states, were estimated by the method of spectral shifts and quantum chemical DFT calculations.
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