Structural properties of the trimetallic acetylide complex [{Ru(CO)2(η5C5H5)}3(η1:η1:η2:-CC)]+ |
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| Authors: | Abdelghani May Nadia Ouddai |
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| Institution: | Laboratoire de chimie des matériaux et des vivants : activité, réactivité, université de Batna, 05000 Batna, Algeria |
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| Abstract: | The purpose of this Note is the study of the structure and fluxional behavior of the complex {Ru(CO)2(η5C5H5)}3(η1:η1:η2:-CC)]+, using density functional methods. The molecular geometry of this complex will be optimized, the transition state (TS) of the fluxional process will be determined and the origin of the energy barrier will be analyzed. |
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