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Keywords = pentafluoroiodobenzene

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15 pages, 3614 KB  
Article
Tuning the Nucleophilicity and Electrophilicity of Group 10 Elements through Substituent Effects: A DFT Study
by Sergi Burguera, Antonio Bauzá and Antonio Frontera
Int. J. Mol. Sci. 2023, 24(21), 15597; https://doi.org/10.3390/ijms242115597 - 26 Oct 2023
Cited by 5 | Viewed by 1620
Abstract
In this study, a series of electron donor (–NH2, –NMe2 and –tBu) and electron-withdrawing substituents (–F, –CN and –NO2) were used to tune the nucleophilicity or electrophilicity of a series of square planar Ni2+, [...] Read more.
In this study, a series of electron donor (–NH2, –NMe2 and –tBu) and electron-withdrawing substituents (–F, –CN and –NO2) were used to tune the nucleophilicity or electrophilicity of a series of square planar Ni2+, Pd2+ and Pt2+ malonate coordination complexes towards a pentafluoroiodobenzene and a pyridine molecule. In addition, Bader’s theory of atoms in molecules (AIM), noncovalent interaction plot (NCIplot), molecular electrostatic potential (MEP) surface and natural bond orbital (NBO) analyses at the PBE0-D3/def2-TZVP level of theory were carried out to characterize and discriminate the role of the metal atom in the noncovalent complexes studied herein. We hope that the results reported herein may serve to expand the current knowledge regarding these metals in the fields of crystal engineering and supramolecular chemistry. Full article
(This article belongs to the Special Issue Noncovalent Interactions Involving Transition Metal Atoms)
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6 pages, 51 KB  
Article
Photoinduced Electron-transfer Reaction of Pentafluoroiodobenzene with Alkenes
by Ping Cao, Zheng-Yu Long and Qing-Yun Chen
Molecules 1997, 2(1), 11-16; https://doi.org/10.3390/jan97p4 - 29 Jan 1997
Cited by 3 | Viewed by 9382
Abstract
Irradiation of pentafluoroiodobenzene and alkenes gave the corresponding adducts. The presence of single electron-transfer scavengers, (p-dinitrobenzene and t-Bu2NO) and the free radical inhibitor (hydroquinone) suppressed the reaction. A photoinduced electron-transfer mechanism is proposed. Full article
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