Palladium acetate complexes in the gas phase |
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| Authors: | I Ya Yakushev A E Gekhman A P Klyagina A A Markov M N Vargaftik I P Stolyarov N V Cherkashina A B Kornev I I Moiseev |
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| Institution: | 1.Kurnakov Institute of General and Inorganic Chemistry,Russian Academy of Sciences,Moscow,Russia;2.The Institute of Problems of Chemical Physics,Russian Academy of Sciences,Chernogolovka,Russia |
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| Abstract: | New palladium acetate complexes, Pd2(OOCMe) 4 + , Pd2(OOCMe) 3 + , Pd2(OOCMe) 2 + , and Pd2(OOCMe)+ were detected in the thermal decomposition products of trans-Pd(Py)2(OOCMe)2 by mass spectrometry with direct ion source. The geometric and electronic structures of the Pd2(μ-OOCMe) 4 + cation and the Pd2(OOCMe)4 molecule were established by quantum chemical calculations (DFT with the PBE1PBE hybrid exchange correlation potential in the 6-31G*/SDD basis set) and natural orbital analysis. |
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