Bimetallic Copper/Ruthenium/Osmium Complexes: Observation of Conformational Differences Between the Solution Phase and Solid State by Atomic Pair Distribution Function Analysis
Dr. Zhu-Lin Xie
Division of Chemical Sciences and Engineering, Argonne National Laboratory, 9700 S Cass Ave, Lemont, IL, 60439 USA
Search for more papers by this authorXiaolin Liu
Department of Chemistry, University of Washington, 109 Bagley Hall, Seattle, WA, 98195-1700 USA
Search for more papers by this authorDr. Andrew J. S. Valentine
Department of Chemistry, University of Washington, 109 Bagley Hall, Seattle, WA, 98195-1700 USA
Search for more papers by this authorDr. Vincent M. Lynch
Department of Chemistry, University of Texas at Austin, 105 E 24TH ST., Austin, TX, 78712-1224 USA
Search for more papers by this authorDr. David M. Tiede
Division of Chemical Sciences and Engineering, Argonne National Laboratory, 9700 S Cass Ave, Lemont, IL, 60439 USA
Search for more papers by this authorCorresponding Author
Prof. Dr. Xiaosong Li
Department of Chemistry, University of Washington, 109 Bagley Hall, Seattle, WA, 98195-1700 USA
Search for more papers by this authorCorresponding Author
Dr. Karen L. Mulfort
Division of Chemical Sciences and Engineering, Argonne National Laboratory, 9700 S Cass Ave, Lemont, IL, 60439 USA
Search for more papers by this authorDr. Zhu-Lin Xie
Division of Chemical Sciences and Engineering, Argonne National Laboratory, 9700 S Cass Ave, Lemont, IL, 60439 USA
Search for more papers by this authorXiaolin Liu
Department of Chemistry, University of Washington, 109 Bagley Hall, Seattle, WA, 98195-1700 USA
Search for more papers by this authorDr. Andrew J. S. Valentine
Department of Chemistry, University of Washington, 109 Bagley Hall, Seattle, WA, 98195-1700 USA
Search for more papers by this authorDr. Vincent M. Lynch
Department of Chemistry, University of Texas at Austin, 105 E 24TH ST., Austin, TX, 78712-1224 USA
Search for more papers by this authorDr. David M. Tiede
Division of Chemical Sciences and Engineering, Argonne National Laboratory, 9700 S Cass Ave, Lemont, IL, 60439 USA
Search for more papers by this authorCorresponding Author
Prof. Dr. Xiaosong Li
Department of Chemistry, University of Washington, 109 Bagley Hall, Seattle, WA, 98195-1700 USA
Search for more papers by this authorCorresponding Author
Dr. Karen L. Mulfort
Division of Chemical Sciences and Engineering, Argonne National Laboratory, 9700 S Cass Ave, Lemont, IL, 60439 USA
Search for more papers by this authorAbstract
High-energy X-ray scattering and pair distribution function analysis (HEXS/PDF) is a powerful method to reveal the structure of materials lacking long-range order, but is underutilized for molecular complexes in solution. We demonstrate the application of HEXS/PDF with 0.26 Å resolution to uncover the solution structure of five bimetallic CuI/RuII/OsII complexes. HEXS/PDF of each complex in acetonitrile solution confirms the pairwise distances in the local coordination sphere of each metal center as well as the metal⋅⋅⋅metal distances separated by over 12 Å. The metal⋅⋅⋅metal distance detected in solution is compared with that from the crystal structure and molecular models to confirm that distortions to the metal bridging ligand are unique to the solid state. This work presents the first example of observing sub-Ångström conformational differences by direct comparison of solution phase and solid-state structures and shows the potential for HEXS/PDF in the determination of solution structure of single molecules.
Conflict of interest
The authors declare no conflict of interest.
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