Hay, Benjamin P. and Bryantsev, Vyacheslav S. (2008) Anion–arene adducts: C–H hydrogen bonding, anion– interaction, and carbon bonding motifs. Chemical Communications, 2008 (21). pp. 2417-2428. ISSN 1359-7345. doi:10.1039/b800055g. https://resolver.caltech.edu/CaltechAUTHORS:HAYcc08
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Abstract
This article summarizes experimental and theoretical evidence for the existence of four distinct binding modes for complexes of anions with charge-neutral arenes. These include C–H hydrogen bonding and three motifs involving the arene– system—the noncovalent anion– interaction, weakly covalent interaction, and strongly covalent interaction.
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| Additional Information: | This journal is © The Royal Society of Chemistry 2008. Received (in Cambridge, UK) 3rd January 2008, Accepted 15th January 2008. First published on the web 4th March 2008. B.P.H. acknowledges support from the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, US Department of Energy (DOE) under contract number DE-AC05-00OR22725 with Oak Ridge National Laboratory (managed by UT-Battelle, LLC). MP2 calculations were performed using the Molecular Science Computing Facility (MSCF) in the William R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, managed for DOE by Battelle. TDDFT calculations were performed using the computing facilities of the Materials and Process Simulation Center at the California Institute of Technology, supported by grants from ARO-DURIP, ONR-DURIP, and NSF-MRI. Electronic supplementary information (ESI) available: Cartesian coordinates and absolute energies for the C3v and C1 forms of the TAZ–NO3− adducts. See DOI: 10.1039/b800055g | ||||||||||
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| Issue or Number: | 21 | ||||||||||
| DOI: | 10.1039/b800055g | ||||||||||
| Record Number: | CaltechAUTHORS:HAYcc08 | ||||||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:HAYcc08 | ||||||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||||||
| ID Code: | 11181 | ||||||||||
| Collection: | CaltechAUTHORS | ||||||||||
| Deposited By: | Archive Administrator | ||||||||||
| Deposited On: | 22 Jul 2008 16:15 | ||||||||||
| Last Modified: | 08 Nov 2021 21:34 |
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