Nickel(0) catalysts of N-heterocyclic carbenes (NHCs) {that are|which are|which can be|which might be|that happen to be} stabilized by electronic deficient alkenes possess desirable properties of air tolerance and ease of handling {while|whilst|although|even though|when|though} also retaining {high|higher} catalytic activities. {Since|Because|Given that|Considering that|Due to the fact|Considering the fact that} catalyst stability {often|frequently|usually|typically|generally|normally} comes {at the|in the} expense of catalytic activity, {we have|we’ve|we’ve got} undertaken a detailed study {of the|from the|in the|on the|with the|of your} activation mechanism of {a new|a brand new} IMes-nickel(0) catalyst stabilized by di-(o-tolyl) fumarate that converts the {stable|steady} pre-catalyst {form|type|kind} into a catalytically active species. Computational evaluation {provided|supplied|offered} {evidence|proof} against a {simple|easy|straightforward|basic|uncomplicated|very simple} ligand exchange {as the|because the} activation mechanism, {and a|along with a|as well as a|plus a|and also a|in addition to a} stoichiometric activation {process|procedure|method|approach|course of action} that covalently modifies the stabilizing ligand was identified. A detailed computational {picture|image} for the activation {process|procedure|method|approach|course of action} was {developed|created}, with predictive insights that {explain|clarify} the catalyst {features|attributes|functions|characteristics|capabilities|options} that {lead to|result in|bring about|cause} {both|each} active and inactive precatalysts. 2413767-30-1 Purity 5-Azidopentan-1-amine Chemscene PMID:24635174
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