Issue 4, 2014

Substituent effects in cation–π interactions revisited: a general approach based on intrinsic properties of the arenes

Abstract

The controversial proposal that substituent effects in cation–π interactions can be attributed mainly to electrostatic effects between the ion and local dipoles has been theoretically studied by analyzing 171 aromatics interacting with Na+. Our results stress the importance of both electrostatic and π-polarization effects to properly describe cation–π interactions.

Graphical abstract: Substituent effects in cation–π interactions revisited: a general approach based on intrinsic properties of the arenes

Supplementary files

Article information

Article type
Communication
Submitted
01 Oct 2013
Accepted
17 Nov 2013
First published
19 Nov 2013

Phys. Chem. Chem. Phys., 2014,16, 1322-1326

Substituent effects in cation–π interactions revisited: a general approach based on intrinsic properties of the arenes

A. Bauzá, P. M. Deyà, A. Frontera and D. Quiñonero, Phys. Chem. Chem. Phys., 2014, 16, 1322 DOI: 10.1039/C3CP54147A

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements