Correlation between Quantumchemically Calculated LUMO Energies and the Electrochemical Window of Ionic Liquids with Reduction-Resistant Anions
Joint Authors
Witkamp, Geert-Jan
Kroon, Maaike C.
Buijs, Wim
Source
International Journal of Electrochemistry
Issue
Vol. 2012, Issue 2012 (31 Dec. 2012), pp.1-6, 6 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2012-05-14
Country of Publication
Egypt
No. of Pages
6
Main Subjects
Abstract EN
Quantum chemical calculations showed to be an excellent method to predict the electrochemical window of ionic liquids with reduction-resistant anions.
A good correlation between the LUMO energy and the electrochemical window is observed.
Surprisingly simple but very fast semiempirical calculations are in full record with density functional theory calculations and are a very attractive tool in the design and optimization of ionic liquids for specific purposes.
American Psychological Association (APA)
Buijs, Wim& Witkamp, Geert-Jan& Kroon, Maaike C.. 2012. Correlation between Quantumchemically Calculated LUMO Energies and the Electrochemical Window of Ionic Liquids with Reduction-Resistant Anions. International Journal of Electrochemistry،Vol. 2012, no. 2012, pp.1-6.
https://search.emarefa.net/detail/BIM-483100
Modern Language Association (MLA)
Buijs, Wim…[et al.]. Correlation between Quantumchemically Calculated LUMO Energies and the Electrochemical Window of Ionic Liquids with Reduction-Resistant Anions. International Journal of Electrochemistry No. 2012 (2012), pp.1-6.
https://search.emarefa.net/detail/BIM-483100
American Medical Association (AMA)
Buijs, Wim& Witkamp, Geert-Jan& Kroon, Maaike C.. Correlation between Quantumchemically Calculated LUMO Energies and the Electrochemical Window of Ionic Liquids with Reduction-Resistant Anions. International Journal of Electrochemistry. 2012. Vol. 2012, no. 2012, pp.1-6.
https://search.emarefa.net/detail/BIM-483100
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-483100
