A through-space description of substituent effects leads to inaccurate molecular electrostatic potentials and cationπ interactions in extended aromatic systems

Non-local effects are crucial in order to give an accurate description of substituent effects in extended aromatic systems. As a consequence, the predictions based on the currently accepted through-space picture can lead to large errors in the strength of cationπ interactions, especially for rings f...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP, Vol. 18, No. 20 (2016), p. 13750-3
Main Author: Cabaleiro-Lago, Enrique M
Other Involved Persons: Rodríguez-Otero, Jesús
Format: electronic Article
Language:English
ISSN:1463-9084
Item Description:Date Completed 01.08.2017
Date Revised 01.08.2017
published: Print
Citation Status PubMed-not-MEDLINE
Copyright: From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
Physical Description:Online-Ressource
DOI:10.1039/c6cp00934d
Subjects:
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