From Chemical Serendipity to Translational Chemistry: New Findings in the Reactivity of Palladacycles

Abstract

In the world of science, in particular the section concerning the field of chemistry, when the results encountered during the experiment do not meet our expectations, our shrewdness may play an important role to open up new unexplored fields that could be much more interesting than what we were seeking. In those cases, our research undergoes an unforeseen shift, delivering novel and challenging results that may altogether alter our point of view and our future work. We have then struck serendipity. Specifically, in our investigation linked to palladacycles we have found that the new trends in their reactivity, as well as in their structure, have been, in many cases, related to this experience, broadening our research scope within this field. Herein, we describe our most relevant findings, which have shed new light upon the reactivity of palladacycles, thus opening new routes that lead to novel unexpected structures.

Preparation of novel complexes bearing diphosphine (dppm) derived from thiosemicarbazone palladacycles

“…The 1 H-NMR spectra for c1-c3 show the resonances for the protons from the starting material and they were correctly assigned. Shielding by the phosphine phenyl ring shifts the H 5 and NHR' signals to highfield ca. 5.8 ppm.…”

“…Herein, the synthesis of several cyclometallated compounds derived from thiosemicarbazone ligands is presented. The mechanism of metallation was described by Trofimenko [5].…”

The importance of and difficulties involved in creating molecular probes for a carbon monoxide gasotransmitter

“…102,103 Since then, extensive analyses have been focused on their creation and structural characteristics, as well as their application in areas like organic synthesis, novel molecular materials, and organometallic catalysis. [104][105][106] In addition, palladacyclic frameworks are frequently encountered as intermediate substances in many reactions catalyzed by palladium. 107 The comprehensive incorporation of carbon monoxide into the Pd-C bond of palladacycles has been thoroughly examined, and the consequences of the carbonylation reaction are influenced by several factors, such as temperature, solvent, the size of the palladacyclic ring, and the nature of the ligands encircling the palladium.…”

Automated Library Generation and Serendipity Quantification Enables Diverse Discovery in Coordination Chemistry

“…We chose to apply these techniques to coordination chemistry since the highly reconfigurable and difficult-to-predict nature of these reactions, particularly those in multinuclear coordination space, make this area particularly unsuitable for DOS forward synthesis methods and thus reliant on serendipity. , We address these aims by splitting the work into three phases: (i) target-oriented synthesis (TOS) of a range of coordination complexes for the validation of synthetic operations required for coordination chemistry in a universal synthesis platform, (ii) automated focused library generation, and (iii) automated generation of a prospecting library through algorithmically directed screening for chemical diversity within a process space of multinuclear species.…”