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Can I read Synthesis, Crystal, Molecular and Electronic Structure of Rhenium Nitrosyl with Pyrazole in the Coordination Sphere on EtoBox?
Synthesis, Crystal, Molecular and Electronic Structure of Rhenium Nitrosyl with Pyrazole in the Coordination Sphere by B. Machura; R. Kruszynski; M. Jaworska is a Materials Science article available to read on EtoBox.
What is Synthesis, Crystal, Molecular and Electronic Structure of Rhenium Nitrosyl with Pyrazole in the Coordination Sphere about?
The reaction of [ReBr 3 (NO)(PPh 3 ) 2 ] complex with pyrazole (pzH) has been examined and a new rhenium nitrosyl -[ReBr 3 (NO)(PPh 3 )(pzH)] -has been obtained. The X-ray structure of the [ReBr 3 (NO)(PPh 3 )(pzH)] complex has been determined and its electronic structure has been calculated with the density functional theory (DFT) method with the use of B3LYP functional. Additional information about binding in the [ReBr 3 (NO)(PPh 3 )(pzH)] complex has been obtained by NBO analysis. The timedependent DFT method (TDDFT) has been used for calculations of spin-allowed doublet-doublet electronic transitions of [ReBr 3 (NO)(PPh 3 )(pzH)], and on this basis the UV-Vis spectrum has been discussed.
Who reads Synthesis, Crystal, Molecular and Electronic Structure of Rhenium Nitrosyl with Pyrazole in the Coordination Sphere?
It is typically read by researchers, students, and practitioners in Materials Science.
- Author
- B. Machura; R. Kruszynski; M. Jaworska
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 1387-7003)
- Published
- 2005
- Language
- EN
- Field
- Materials Science (Physical Sciences)