Dipole moment of a metallocene precatalyst in the ground and excited states |
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| Authors: | G V Loukova A A Milov V P Vasiliev V A Smirnov |
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| Institution: | (1) Institute of Problems of Chemical Physics, Russian Academy of Sciences, 1 prosp. Semenova, 142432 Chernogolovka, Moscow Region, Russian Federation;(2) Southern Scientific Center, Russian Academy of Sciences, 41 ul. Chekhova, 344006 Rostov-on-Don, Russian Federation |
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| Abstract: | Electric dipole moments of a highly emissive metallocene precatalyst, namely, the ZrIV π-complex in the ground and triplet states, were estimated by the method of spectral shifts and quantum chemical DFT calculations.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1145–1150, June, 2008. |
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| Keywords: | organometallic π -complexes zirconium complexes polymerization catalysts polymerization ligand-to-metal charge transfer luminescence in solution dipole moment quantum chemical DFT calculations |
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