{"volume":228,"publication_status":"published","title":"Configuration Determination of Transition Metal Complexes by Multiple Scattering EXAFS Analysis: A Case Study","user_id":"48467","page":"1077-1088","status":"public","author":[{"full_name":"Bauer, Matthias","orcid":"0000-0002-9294-6076","id":"47241","last_name":"Bauer","first_name":"Matthias"}],"publisher":"Walter de Gruyter GmbH","keyword":["Physical and Theoretical Chemistry"],"doi":"10.1515/zpch-2014-0623","department":[{"_id":"306"}],"issue":"10-12","date_updated":"2023-01-31T14:39:50Z","type":"journal_article","intvolume":"       228","date_created":"2023-01-31T14:32:43Z","publication":"Zeitschrift für Physikalische Chemie","_id":"41211","year":"2014","citation":{"bibtex":"@article{Bauer_2014, title={Configuration Determination of Transition Metal Complexes by Multiple Scattering EXAFS Analysis: A Case Study}, volume={228}, DOI={<a href=\"https://doi.org/10.1515/zpch-2014-0623\">10.1515/zpch-2014-0623</a>}, number={10–12}, journal={Zeitschrift für Physikalische Chemie}, publisher={Walter de Gruyter GmbH}, author={Bauer, Matthias}, year={2014}, pages={1077–1088} }","ama":"Bauer M. Configuration Determination of Transition Metal Complexes by Multiple Scattering EXAFS Analysis: A Case Study. <i>Zeitschrift für Physikalische Chemie</i>. 2014;228(10-12):1077-1088. doi:<a href=\"https://doi.org/10.1515/zpch-2014-0623\">10.1515/zpch-2014-0623</a>","apa":"Bauer, M. (2014). Configuration Determination of Transition Metal Complexes by Multiple Scattering EXAFS Analysis: A Case Study. <i>Zeitschrift Für Physikalische Chemie</i>, <i>228</i>(10–12), 1077–1088. <a href=\"https://doi.org/10.1515/zpch-2014-0623\">https://doi.org/10.1515/zpch-2014-0623</a>","mla":"Bauer, Matthias. “Configuration Determination of Transition Metal Complexes by Multiple Scattering EXAFS Analysis: A Case Study.” <i>Zeitschrift Für Physikalische Chemie</i>, vol. 228, no. 10–12, Walter de Gruyter GmbH, 2014, pp. 1077–88, doi:<a href=\"https://doi.org/10.1515/zpch-2014-0623\">10.1515/zpch-2014-0623</a>.","chicago":"Bauer, Matthias. “Configuration Determination of Transition Metal Complexes by Multiple Scattering EXAFS Analysis: A Case Study.” <i>Zeitschrift Für Physikalische Chemie</i> 228, no. 10–12 (2014): 1077–88. <a href=\"https://doi.org/10.1515/zpch-2014-0623\">https://doi.org/10.1515/zpch-2014-0623</a>.","ieee":"M. Bauer, “Configuration Determination of Transition Metal Complexes by Multiple Scattering EXAFS Analysis: A Case Study,” <i>Zeitschrift für Physikalische Chemie</i>, vol. 228, no. 10–12, pp. 1077–1088, 2014, doi: <a href=\"https://doi.org/10.1515/zpch-2014-0623\">10.1515/zpch-2014-0623</a>.","short":"M. Bauer, Zeitschrift Für Physikalische Chemie 228 (2014) 1077–1088."},"publication_identifier":{"issn":["0942-9352","2196-7156"]},"abstract":[{"lang":"eng","text":"A multiple scattering extended X-ray absorption fine structure (EXAFS)\r\nanalysis of Ti(acac)<jats:sub>2</jats:sub>Cl<jats:sub>2</jats:sub> is presented. With such an approach\r\nthe configuration of the ligands in this complex can be identified due\r\nto the different multiple scattering events in the <jats:italic>cis</jats:italic>- and\r\n<jats:italic>trans</jats:italic>-configuration. A thorough evaluation of the effects of\r\nthe different multiple scattering parameters (effective scattering\r\npath, scattering order, number of scattering atoms) in combination\r\nwith the input structure is presented that reveals a complicated\r\ncorrelation between these parameters which could lead to wrong results\r\nwith respect to the determined configuration. Finally, the optimal\r\nprocedure for this particular purpose is defined and described."}],"language":[{"iso":"eng"}]}