Electrochemical and computational study of ion association in the electro-reduction of PW 12 O 40 3-
Insights into ion pairing effects on the redox properties of the Keggin-type polyoxotungstate PW 12 O 40 3- are gained by combining electrochemical experiments and density functional theory (DFT) calculations. Such effects have been reported to affect the performance of these species as molecular el...
| Main Authors: | , , , , |
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| Format: | Journal article |
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American Chemical Society
2017
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| _version_ | 1826299800462557184 |
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| author | Gomez-Gil, J Molina, A Laborda, E Gonzalez, J Compton, R |
| author_facet | Gomez-Gil, J Molina, A Laborda, E Gonzalez, J Compton, R |
| author_sort | Gomez-Gil, J |
| collection | OXFORD |
| description | Insights into ion pairing effects on the redox properties of the Keggin-type polyoxotungstate PW 12 O 40 3- are gained by combining electrochemical experiments and density functional theory (DFT) calculations. Such effects have been reported to affect the performance of these species as molecular electrocatalysts. Experimental square wave voltammetry (SWV) of the two-electron reduction of PW 12 O 40 3- in acetonitrile evidences that the reduced forms PW 12 O 40 4- and PW 12 O 40 5- can be significantly stabilized by ion association. The strength and stoichiometry of the corresponding aggregates are estimated as a function of the nature of the cation (lithium, sodium, and tetramethylammonium) and the oxidation state of the polyoxometalate. The results obtained in combination with DFT enable us to examine the roles of the cation solvation and the charge number and distribution of the polyanions. |
| first_indexed | 2024-03-07T05:07:27Z |
| format | Journal article |
| id | oxford-uuid:da68b0a8-39ce-4205-b3fb-8c54d8aee44f |
| institution | University of Oxford |
| last_indexed | 2024-03-07T05:07:27Z |
| publishDate | 2017 |
| publisher | American Chemical Society |
| record_format | dspace |
| spelling | oxford-uuid:da68b0a8-39ce-4205-b3fb-8c54d8aee44f2022-03-27T09:03:09ZElectrochemical and computational study of ion association in the electro-reduction of PW 12 O 40 3-Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:da68b0a8-39ce-4205-b3fb-8c54d8aee44fSymplectic Elements at OxfordAmerican Chemical Society2017Gomez-Gil, JMolina, ALaborda, EGonzalez, JCompton, RInsights into ion pairing effects on the redox properties of the Keggin-type polyoxotungstate PW 12 O 40 3- are gained by combining electrochemical experiments and density functional theory (DFT) calculations. Such effects have been reported to affect the performance of these species as molecular electrocatalysts. Experimental square wave voltammetry (SWV) of the two-electron reduction of PW 12 O 40 3- in acetonitrile evidences that the reduced forms PW 12 O 40 4- and PW 12 O 40 5- can be significantly stabilized by ion association. The strength and stoichiometry of the corresponding aggregates are estimated as a function of the nature of the cation (lithium, sodium, and tetramethylammonium) and the oxidation state of the polyoxometalate. The results obtained in combination with DFT enable us to examine the roles of the cation solvation and the charge number and distribution of the polyanions. |
| spellingShingle | Gomez-Gil, J Molina, A Laborda, E Gonzalez, J Compton, R Electrochemical and computational study of ion association in the electro-reduction of PW 12 O 40 3- |
| title | Electrochemical and computational study of ion association in the electro-reduction of PW 12 O 40 3- |
| title_full | Electrochemical and computational study of ion association in the electro-reduction of PW 12 O 40 3- |
| title_fullStr | Electrochemical and computational study of ion association in the electro-reduction of PW 12 O 40 3- |
| title_full_unstemmed | Electrochemical and computational study of ion association in the electro-reduction of PW 12 O 40 3- |
| title_short | Electrochemical and computational study of ion association in the electro-reduction of PW 12 O 40 3- |
| title_sort | electrochemical and computational study of ion association in the electro reduction of pw 12 o 40 3 |
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