Issue 70, 2018
From the journal:

Chemical Communications

Elucidation of the inverse trans influence in uranyl and its imido and carbene analogues via quantum chemical simulation†

Izaak Fryer-Kanssena  and  Andy Kerridge ORCID logo *a  

* Corresponding authors

a Department of Chemistry, Lancaster University, Bailrigg, Lancaster, UK
E-mail: a.kerridge@lancaster.ac.uk

Abstract

The inverse trans influence (ITI) is investigated in uranyl, UO22+, and its isoelectronic imido (U(NH)22+) and carbene (U(CH2)22+) analogues at the density functional and complete active space self consistent field levels of theory. The quantum theory of atoms in molecules is employed to quantify, for the first time, the effect of the ITI on covalent bond character and its relationship to bond lengths and complex stability.

Graphical abstract: Elucidation of the inverse trans influence in uranyl and its imido and carbene analogues via quantum chemical simulation

About
Cited by
Related
Download options Please wait...

Supplementary files

Article information

DOI
https://doi.org/10.1039/C8CC06088F
Article type
Communication
Submitted
26 jul 2018
Accepted
07 aug 2018
First published
07 aug 2018
This article is Open Access
Creative Commons BY-NC license

Chem. Commun., 2018,54, 9761-9764

Permissions

Request permissions

Elucidation of the inverse trans influence in uranyl and its imido and carbene analogues via quantum chemical simulation

I. Fryer-Kanssen and A. Kerridge, Chem. Commun., 2018, 54, 9761 DOI: 10.1039/C8CC06088F

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. You can use material from this article in other publications, without requesting further permission from the RSC, provided that the correct acknowledgement is given and it is not used for commercial purposes.

To request permission to reproduce material from this article in a commercial publication, 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 commercial 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