What is it about?
The reason to explain why certain catalysts possess a high catalytic activity than other ones has been suggested in terms of a local reactivity descriptor which takes into account the electronic effect exerted by a substituent in the catalyst.
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Why is it important?
For the first time the influence of a substituent group in a catalyst is measured through the use of a local reactivity descriptor that is called local hyper-softness and not by means of the net charge on an atom.
Perspectives
The catalytic activity might be estimated by combining this local reactivity descriptor along with another one designed to measure the steric hindrance.
Dr Jorge I. Martínez-Araya
UNAB
Read the Original
This page is a summary of: Reaction Electronic Flux as a Fluctuation of Relative Interatomic Electronic Populations, The Journal of Physical Chemistry C, February 2015, American Chemical Society (ACS),
DOI: 10.1021/jp508297r.
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