Issue 5, 2014

New insights into small molecule activation by acyclic silylenes: a computational investigation

Abstract

Recently synthesized acyclic silylenes have the potential to rival transition metal complexes in performing single site small molecule activation, which is significant because of the need to find cheap and green alternatives to transition metal complexes for this important class of reactions. However, the current computational study, a full quantum chemical investigation with density functional theory, demonstrates that undesired side reactions would be competitive in these systems during small molecule activation. The current investigation, in addition to shedding light on this problem, also provides solutions on how the undesired side reactions during small molecule activation can be avoided.

Graphical abstract: New insights into small molecule activation by acyclic silylenes: a computational investigation

Supplementary files

Article information

Article type
Paper
Submitted
08 Oct 2013
Accepted
12 Nov 2013
First published
13 Nov 2013

Dalton Trans., 2014,43, 2194-2201

New insights into small molecule activation by acyclic silylenes: a computational investigation

N. Kuriakose and K. Vanka, Dalton Trans., 2014, 43, 2194 DOI: 10.1039/C3DT52817K

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