Issue 5, 2014

Does the metal protect the ancillary ligands? C–H strengthening and deactivation in amines and phosphines upon metal-binding

Abstract

DFT and CCSD(T) calculations show that the weakest C–H bonds of N- and P-donor ligands are strengthened and deactivated upon metal-binding. The increase in C–H BDE and ΔG for H abstraction ranges from ca. 1 to 15 kcal mol−1.

Graphical abstract: Does the metal protect the ancillary ligands? C–H strengthening and deactivation in amines and phosphines upon metal-binding

Supplementary files

Article information

Article type
Communication
Submitted
07 Oct 2013
Accepted
05 Nov 2013
First published
05 Nov 2013
This article is Open Access
Creative Commons BY license

Chem. Commun., 2014,50, 614-616

Does the metal protect the ancillary ligands? C–H strengthening and deactivation in amines and phosphines upon metal-binding

A. Nova and D. Balcells, Chem. Commun., 2014, 50, 614 DOI: 10.1039/C3CC47686C

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements