In situ studies of reversible solid–gas reactions of ethylene responsive silver pyrazolates

Dias, H. Rasika; Parasar, Devaborniny; Yakovenko, Andrey A.; Stephens, Peter W.; Muñoz-Castro, Álvaro; Vanga, Mukundam; Mykhailiuk, Pavel; Slobodyanyuk, Evgeniy

doi:10.1039/d3sc04182d

In situ studies of reversible solid–gas reactions of ethylene responsive silver pyrazolates

Journal Article · Wed Nov 29 00:00:00 EST 2023 · Chemical Science

DOI:https://doi.org/10.1039/d3sc04182d· OSTI ID:2470136

^[1]; Parasar, Devaborniny ^[1]; Yakovenko, Andrey A. ^[2]; ^[3]; Muñoz-Castro, Álvaro ^[4]; ^[1]; ^[5]; Slobodyanyuk, Evgeniy ^[6]

The University of Texas, Arlington, TX (United States)
Argonne National Laboratory (ANL), Argonne, IL (United States)
Stony Brook University, NY (United States)
Universidad San Sebastián, Santiago (Chile)
Enamine Ltd., Kyiv (Ukraine); Taras Shevchenko National University of Kyiv (Ukraine)
Enamine Ltd., Kyiv (Ukraine)

Solid–gas reactions and in situ powder X-ray diffraction investigations of trinuclear silver complexes {[3,4,5-(CF₃)₃Pz]Ag}₃ and {[4-Br-3,5-(CF₃)₂Pz]Ag}₃ supported by highly fluorinated pyrazolates reveal that they undergo intricate ethylene-triggered structural transformations in the solid-state producing dinuclear silver–ethylene adducts. Despite the complexity, the chemistry is reversible producing precursor trimers with the loss of ethylene. Less reactive {[3,5-(CF₃)₂Pz]Ag}₃ under ethylene pressure and low-temperature conditions stops at an unusual silver–ethylene complex in the trinuclear state, which could serve as a model for intermediates likely present in more common trimer–dimer reorganizations described above. Complete structural data of three novel silver–ethylene complexes are presented together with a thorough computational analysis of the mechanism.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States); Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: Fondo Nacional de Desarrollo Científico y Tecnologico (FONDECYT); National Fund for Scientific and Technological Development (FONDECYT); National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 2470136

Alternate ID(s):: OSTI ID: 2997920

Journal Information:: Chemical Science, Journal Name: Chemical Science Journal Issue: 6 Vol. 15; ISSN 2041-6520

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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In situ studies of reversible solid–gas reactions of ethylene responsive silver pyrazolates

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