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Issue 5, 2014
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Does the metal protect the ancillary ligands? C–H strengthening and deactivation in amines and phosphines upon metal-binding

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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

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Publication details

The article was received on 07 Oct 2013, accepted on 05 Nov 2013 and first published on 05 Nov 2013


Article type: Communication
DOI: 10.1039/C3CC47686C
Citation: Chem. Commun., 2014,50, 614-616
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    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

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